N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine

C15H33N3 — CID 43307899

IUPACN',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
SMILESCCN(CC)CCCNC(C)C1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-5-18(6-2)11-7-10-16-14(3)15-8-12-17(4)13-9-15/h14-16H,5-13H2,1-4H3
InChIKeyDMIIOHBOOFLDPF-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds8

About N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine

N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine (PubChem CID 43307899) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
PubChem CID43307899
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
SMILESCCN(CC)CCCNC(C)C1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-5-18(6-2)11-7-10-16-14(3)15-8-12-17(4)13-9-15/h14-16H,5-13H2,1-4H3
InChIKeyDMIIOHBOOFLDPF-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
N-[1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethyl]propan-1-amine
CID 55258766
N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 115704238
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573810
N'-ethyl-N'-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 62635023
1-(1-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 79351441

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine (CID 43307899) is N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine is CCN(CC)CCCNC(C)C1CCN(C)CC1.
What is the InChIKey of N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
The InChIKey is DMIIOHBOOFLDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-18(6-2)11-7-10-16-14(3)15-8-12-17(4)13-9-15/h14-16H,5-13H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine?
N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 43307899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).