N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine

C98H229N11 — CID 159594250

IUPACN-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine
SMILESCCCCCCCCCCN(C)C.CCCCCCCCCN(C)C.CCCCCCCCN(C)C.CCCCCCCN(C)C.CCCCCCN(C)C.CCCCN(C)C.CCCCN(C)CCCC.CCCCN(CC)CC.CCCCN(CC)CCCC.CCCN(CCC)CCC.CCN(CC)CC
InChIInChI=1S/C12H27N.C11H25N.2C10H23N.3C9H21N.2C8H19N.2C6H15N/c1-4-5-6-7-8-9-10-11-12-13(2)3;1-4-5-6-7-8-9-10-11-12(2)3;1-4-5-6-7-8-9-10-11(2)3;1-4-7-9-11(6-3)10-8-5-2;1-4-5-6-7-8-9-10(2)3;1-4-6-8-10(3)9-7-5-2;1-4-7-10(8-5-2)9-6-3;1-4-5-6-7-8-9(2)3;1-4-7-8-9(5-2)6-3;1-4-5-6-7(2)3;1-4-7(5-2)6-3/h4-12H2,1-3H3;4-11H2,1-3H3;2*4-10H2,1-3H3;3*4-9H2,1-3H3;2*4-8H2,1-3H3;2*4-6H2,1-3H3
InChIKeyMKPYVUWYHFQTCG-UHFFFAOYSA-N
MW1561.99 g/mol
LogP27.31
Rot. Bonds65

About N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine

N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine (PubChem CID 159594250) has the molecular formula C98H229N11 and a molecular weight of 1561.99 g/mol. Its IUPAC name is N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine.

Molecular Properties

Compound NameN-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine
PubChem CID159594250
Molecular FormulaC98H229N11
Molecular Weight1561.99 g/mol
Exact Mass1560.83
IUPAC NameN-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine
SMILESCCCCCCCCCCN(C)C.CCCCCCCCCN(C)C.CCCCCCCCN(C)C.CCCCCCCN(C)C.CCCCCCN(C)C.CCCCN(C)C.CCCCN(C)CCCC.CCCCN(CC)CC.CCCCN(CC)CCCC.CCCN(CCC)CCC.CCN(CC)CC
InChIInChI=1S/C12H27N.C11H25N.2C10H23N.3C9H21N.2C8H19N.2C6H15N/c1-4-5-6-7-8-9-10-11-12-13(2)3;1-4-5-6-7-8-9-10-11-12(2)3;1-4-5-6-7-8-9-10-11(2)3;1-4-7-9-11(6-3)10-8-5-2;1-4-5-6-7-8-9-10(2)3;1-4-6-8-10(3)9-7-5-2;1-4-7-10(8-5-2)9-6-3;1-4-5-6-7-8-9(2)3;1-4-7-8-9(5-2)6-3;1-4-5-6-7(2)3;1-4-7(5-2)6-3/h4-12H2,1-3H3;4-11H2,1-3H3;2*4-10H2,1-3H3;3*4-9H2,1-3H3;2*4-8H2,1-3H3;2*4-6H2,1-3H3
InChIKeyMKPYVUWYHFQTCG-UHFFFAOYSA-N
XLogP27.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds65
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001561.99
LogP ≤ 527.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine 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'-[3-[3-[butyl(ethyl)amino]propyl-ethylamino]propyl]-N,N'-dimethyl-N-[3-[methyl(octyl)amino]propyl]butane-1,4-diamine
CID 91145373
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819
N-ethyl-N-propyldecan-1-amine
CID 56933807
N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
CID 170755235
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N-methyl-N-propyldecan-1-amine
CID 13122225

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine?
The IUPAC name of N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine (CID 159594250) is N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine.
What is the SMILES notation for N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine?
The canonical SMILES for N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine is CCCCCCCCCCN(C)C.CCCCCCCCCN(C)C.CCCCCCCCN(C)C.CCCCCCCN(C)C.CCCCCCN(C)C.CCCCN(C)C.CCCCN(C)CCCC.CCCCN(CC)CC.CCCCN(CC)CCCC.CCCN(CCC)CCC.CCN(CC)CC.
What is the InChIKey of N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine?
The InChIKey is MKPYVUWYHFQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C11H25N.2C10H23N.3C9H21N.2C8H19N.2C6H15N/c1-4-5-6-7-8-9-10-11-12-13(2)3;1-4-5-6-7-8-9-10-11-12(2)3;1-4-5-6-7-8-9-10-11(2)3;1-4-7-9-11(6-3)10-8-5-2;1-4-5-6-7-8-9-10(2)3;1-4-6-8-10(3)9-7-5-2;1-4-7-10(8-5-2)9-6-3;1-4-5-6-7-8-9(2)3;1-4-7-8-9(5-2)6-3;1-4-5-6-7(2)3;1-4-7(5-2)6-3/h4-12H2,1-3H3;4-11H2,1-3H3;2*4-10H2,1-3H3;3*4-9H2,1-3H3;2*4-8H2,1-3H3;2*4-6H2,1-3H3.
What are the key properties of N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine?
N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine has a molecular weight of 1561.99 g/mol, XLogP of 27.31, 65 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine is sourced from PubChem (CID 159594250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).