4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine

C16H35N3 — CID 65074989

IUPAC4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine
SMILESCCC(CC)CN(CC)C1(CN)CCCN(C)CC1
InChIInChI=1S/C16H35N3/c1-5-15(6-2)13-19(7-3)16(14-17)9-8-11-18(4)12-10-16/h15H,5-14,17H2,1-4H3
InChIKeyWKXNLLCZEKDPJS-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.56
Rot. Bonds7

About 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine

4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine (PubChem CID 65074989) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine
PubChem CID65074989
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine
SMILESCCC(CC)CN(CC)C1(CN)CCCN(C)CC1
InChIInChI=1S/C16H35N3/c1-5-15(6-2)13-19(7-3)16(14-17)9-8-11-18(4)12-10-16/h15H,5-14,17H2,1-4H3
InChIKeyWKXNLLCZEKDPJS-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-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

1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine
CID 55193794
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-methylazepan-4-amine
CID 107397807
4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine
CID 65075349
1-(aminomethyl)-N-ethyl-N-(2-ethylhexyl)cyclopentan-1-amine
CID 63480319
4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine
CID 79484107
N'-[4-(aminomethyl)-1-methylazepan-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65074890
1-(aminomethyl)-N-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptan-1-amine
CID 82888247
4-(aminomethyl)-N-butan-2-yl-N-butyl-1-methylazepan-4-amine
CID 65075573
4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1-methylpiperidin-4-amine
CID 61448644
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
CID 65078106
4-(aminomethyl)-1-methyl-N-pentyl-N-propan-2-ylazepan-4-amine
CID 65075464
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63471954

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine (CID 65074989) is 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine is CCC(CC)CN(CC)C1(CN)CCCN(C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine?
The InChIKey is WKXNLLCZEKDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-15(6-2)13-19(7-3)16(14-17)9-8-11-18(4)12-10-16/h15H,5-14,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine?
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine has a molecular weight of 269.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine is sourced from PubChem (CID 65074989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).