N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide

C17H33N3O — CID 79157486

IUPACN-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide
SMILESCCCN(C(=O)N1CCCCCC1)C1(CN)CCCCC1
InChIInChI=1S/C17H33N3O/c1-2-12-20(17(15-18)10-6-5-7-11-17)16(21)19-13-8-3-4-9-14-19/h2-15,18H2,1H3
InChIKeyIGOFGAPGMFZXNK-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.36
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide

N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide (PubChem CID 79157486) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide
PubChem CID79157486
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide
SMILESCCCN(C(=O)N1CCCCCC1)C1(CN)CCCCC1
InChIInChI=1S/C17H33N3O/c1-2-12-20(17(15-18)10-6-5-7-11-17)16(21)19-13-8-3-4-9-14-19/h2-15,18H2,1H3
InChIKeyIGOFGAPGMFZXNK-UHFFFAOYSA-N
XLogP3.36
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-N-methylpiperidine-1-carboxamide
CID 79155705
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone
CID 62010554
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylpyrrolidine-1-carboxamide
CID 79161718
2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
CID 62006174
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 62004874
1-[1-(aminomethyl)cyclopentyl]-3-cyclobutyl-1-propylurea
CID 116658167
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
1-[1-(aminomethyl)cyclopentyl]-3-benzyl-1-propylurea
CID 107653329
N-methyl-N-pentylpyrrolidine-1-carboxamide
CID 116654215
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide (CID 79157486) is N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide is CCCN(C(=O)N1CCCCCC1)C1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide?
The InChIKey is IGOFGAPGMFZXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-12-20(17(15-18)10-6-5-7-11-17)16(21)19-13-8-3-4-9-14-19/h2-15,18H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide?
N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-N-propylazepane-1-carboxamide is sourced from PubChem (CID 79157486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).