2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone

C17H33N3O — CID 62006174

IUPAC2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
SMILESCCN(CC(=O)N1CCCCCC1)C1(CN)CCCCC1
InChIInChI=1S/C17H33N3O/c1-2-20(17(15-18)10-6-5-7-11-17)14-16(21)19-12-8-3-4-9-13-19/h2-15,18H2,1H3
InChIKeyZXWZWWNUGGFJCF-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.37
Rot. Bonds5

About 2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone

2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone (PubChem CID 62006174) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
PubChem CID62006174
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
SMILESCCN(CC(=O)N1CCCCCC1)C1(CN)CCCCC1
InChIInChI=1S/C17H33N3O/c1-2-20(17(15-18)10-6-5-7-11-17)14-16(21)19-12-8-3-4-9-13-19/h2-15,18H2,1H3
InChIKeyZXWZWWNUGGFJCF-UHFFFAOYSA-N
XLogP2.37
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone
CID 62010554
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 62004874
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529
N-[1-(aminomethyl)cyclohexyl]-N-methylpiperidine-1-carboxamide
CID 79155705
3-[[1-(aminomethyl)cycloheptyl]-ethylamino]propanamide
CID 62008325
N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide
CID 79157486
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
CID 62008327
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
1-(aminomethyl)-N-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 62005984

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone (CID 62006174) is 2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone is CCN(CC(=O)N1CCCCCC1)C1(CN)CCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone?
The InChIKey is ZXWZWWNUGGFJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-20(17(15-18)10-6-5-7-11-17)14-16(21)19-12-8-3-4-9-13-19/h2-15,18H2,1H3.
What are the key properties of 2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone?
2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone has a molecular weight of 295.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone is sourced from PubChem (CID 62006174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).