N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide

C14H27N3O — CID 106125214

IUPACN-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide
SMILESNC1CCCC(CNC(=O)N2CCCCCC2)C1
InChIInChI=1S/C14H27N3O/c15-13-7-5-6-12(10-13)11-16-14(18)17-8-3-1-2-4-9-17/h12-13H,1-11,15H2,(H,16,18)
InChIKeyUWXLTDBZGFJYLJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.09
Rot. Bonds2

About N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide

N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide (PubChem CID 106125214) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide
PubChem CID106125214
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide
SMILESNC1CCCC(CNC(=O)N2CCCCCC2)C1
InChIInChI=1S/C14H27N3O/c15-13-7-5-6-12(10-13)11-16-14(18)17-8-3-1-2-4-9-17/h12-13H,1-11,15H2,(H,16,18)
InChIKeyUWXLTDBZGFJYLJ-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide
CID 43834019
N-[(2-aminocyclopentyl)methyl]piperidine-1-carboxamide
CID 79155125
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
N-[(3-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboxamide
CID 106124949
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 79162228

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide (CID 106125214) is N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide is NC1CCCC(CNC(=O)N2CCCCCC2)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide?
The InChIKey is UWXLTDBZGFJYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-13-7-5-6-12(10-13)11-16-14(18)17-8-3-1-2-4-9-17/h12-13H,1-11,15H2,(H,16,18).
What are the key properties of N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide?
N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 106125214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).