N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one

C92H182N16O14 — CID 165051317

IUPACN-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESCC(=O)CC(=O)N1CCN(CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC)CC1.CCC(=O)N1CCN(CC(C)=O)CC1.CCC(=O)N1CCN(CC)CC1.CCCCC.CCCCN(C)CCCC.CCN(C)CC.CCN1CCN(C(=O)CC(C)=O)CC1.CCN1CCN(CC)CC1.CCOCC
InChIInChI=1S/2C11H18N2O3.3C10H18N2O2.C9H18N2O.C9H21N.C8H18N2.C5H13N.C5H12.C4H10O/c1-9(14)7-11(16)13-5-3-12(4-6-13)8-10(2)15;1-3-10(15)12-4-6-13(7-5-12)11(16)8-9(2)14;1-3-11-4-6-12(7-5-11)10(14)8-9(2)13;1-3-10(14)12-6-4-11(5-7-12)8-9(2)13;1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-9(12)11-7-5-10(4-2)6-8-11;1-4-6-8-10(3)9-7-5-2;1-3-9-5-7-10(4-2)8-6-9;1-4-6(3)5-2;2*1-3-5-4-2/h2*3-8H2,1-2H3;3*3-8H2,1-2H3;3-8H2,1-2H3;4-9H2,1-3H3;3-8H2,1-2H3;4-5H2,1-3H3;3-5H2,1-2H3;3-4H2,1-2H3
InChIKeyPSAYEVVPFWFZFW-UHFFFAOYSA-N
MW1736.57 g/mol
LogP8.40
Rot. Bonds31

About N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one

N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one (PubChem CID 165051317) has the molecular formula C92H182N16O14 and a molecular weight of 1736.57 g/mol. Its IUPAC name is N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound NameN-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one
PubChem CID165051317
Molecular FormulaC92H182N16O14
Molecular Weight1736.57 g/mol
Exact Mass1735.40
IUPAC NameN-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESCC(=O)CC(=O)N1CCN(CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC)CC1.CCC(=O)N1CCN(CC(C)=O)CC1.CCC(=O)N1CCN(CC)CC1.CCCCC.CCCCN(C)CCCC.CCN(C)CC.CCN1CCN(C(=O)CC(C)=O)CC1.CCN1CCN(CC)CC1.CCOCC
InChIInChI=1S/2C11H18N2O3.3C10H18N2O2.C9H18N2O.C9H21N.C8H18N2.C5H13N.C5H12.C4H10O/c1-9(14)7-11(16)13-5-3-12(4-6-13)8-10(2)15;1-3-10(15)12-4-6-13(7-5-12)11(16)8-9(2)14;1-3-11-4-6-12(7-5-11)10(14)8-9(2)13;1-3-10(14)12-6-4-11(5-7-12)8-9(2)13;1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-9(12)11-7-5-10(4-2)6-8-11;1-4-6-8-10(3)9-7-5-2;1-3-9-5-7-10(4-2)8-6-9;1-4-6(3)5-2;2*1-3-5-4-2/h2*3-8H2,1-2H3;3*3-8H2,1-2H3;3-8H2,1-2H3;4-9H2,1-3H3;3-8H2,1-2H3;4-5H2,1-3H3;3-5H2,1-2H3;3-4H2,1-2H3
InChIKeyPSAYEVVPFWFZFW-UHFFFAOYSA-N
XLogP8.40
TPSA282.98 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.57
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one?
The IUPAC name of N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one (CID 165051317) is N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one?
The canonical SMILES for N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one is CC(=O)CC(=O)N1CCN(CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC)CC1.CCC(=O)N1CCN(CC(C)=O)CC1.CCC(=O)N1CCN(CC)CC1.CCCCC.CCCCN(C)CCCC.CCN(C)CC.CCN1CCN(C(=O)CC(C)=O)CC1.CCN1CCN(CC)CC1.CCOCC.
What is the InChIKey of N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one?
The InChIKey is PSAYEVVPFWFZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H18N2O3.3C10H18N2O2.C9H18N2O.C9H21N.C8H18N2.C5H13N.C5H12.C4H10O/c1-9(14)7-11(16)13-5-3-12(4-6-13)8-10(2)15;1-3-10(15)12-4-6-13(7-5-12)11(16)8-9(2)14;1-3-11-4-6-12(7-5-11)10(14)8-9(2)13;1-3-10(14)12-6-4-11(5-7-12)8-9(2)13;1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-9(12)11-7-5-10(4-2)6-8-11;1-4-6-8-10(3)9-7-5-2;1-3-9-5-7-10(4-2)8-6-9;1-4-6(3)5-2;2*1-3-5-4-2/h2*3-8H2,1-2H3;3*3-8H2,1-2H3;3-8H2,1-2H3;4-9H2,1-3H3;3-8H2,1-2H3;4-5H2,1-3H3;3-5H2,1-2H3;3-4H2,1-2H3.
What are the key properties of N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one?
N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one has a molecular weight of 1736.57 g/mol, XLogP of 8.40, 31 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 165051317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).