3-(aminomethyl)-N-ethylazepane-1-carboxamide

C10H21N3O — CID 126983283

IUPAC3-(aminomethyl)-N-ethylazepane-1-carboxamide
SMILESCCNC(=O)N1CCCCC(CN)C1
InChIInChI=1S/C10H21N3O/c1-2-12-10(14)13-6-4-3-5-9(7-11)8-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyZLIRYEPTRPHCPK-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.78
Rot. Bonds2

About 3-(aminomethyl)-N-ethylazepane-1-carboxamide

3-(aminomethyl)-N-ethylazepane-1-carboxamide (PubChem CID 126983283) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethylazepane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethylazepane-1-carboxamide
PubChem CID126983283
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(aminomethyl)-N-ethylazepane-1-carboxamide
SMILESCCNC(=O)N1CCCCC(CN)C1
InChIInChI=1S/C10H21N3O/c1-2-12-10(14)13-6-4-3-5-9(7-11)8-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyZLIRYEPTRPHCPK-UHFFFAOYSA-N
XLogP0.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate
CID 166107612
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
3-amino-N-ethylazetidine-1-carboxamide
CID 63766743
3-(aminomethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 82508340
3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide
CID 63766173
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
N,4-diethylazepane-1-carboxamide
CID 89043568
3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 82508766
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethylazepane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-ethylazepane-1-carboxamide (CID 126983283) is 3-(aminomethyl)-N-ethylazepane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-ethylazepane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-ethylazepane-1-carboxamide is CCNC(=O)N1CCCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-ethylazepane-1-carboxamide?
The InChIKey is ZLIRYEPTRPHCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-12-10(14)13-6-4-3-5-9(7-11)8-13/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 3-(aminomethyl)-N-ethylazepane-1-carboxamide?
3-(aminomethyl)-N-ethylazepane-1-carboxamide has a molecular weight of 199.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethylazepane-1-carboxamide is sourced from PubChem (CID 126983283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).