N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide

C14H27N3O — CID 79152452

IUPACN-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
SMILESCNC1CCC(NC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-15-12-6-8-13(9-7-12)16-14(18)17-10-4-2-3-5-11-17/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyGFRBCPJSUNKIPZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.10
Rot. Bonds2

About N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide

N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide (PubChem CID 79152452) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
PubChem CID79152452
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
SMILESCNC1CCC(NC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-15-12-6-8-13(9-7-12)16-14(18)17-10-4-2-3-5-11-17/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyGFRBCPJSUNKIPZ-UHFFFAOYSA-N
XLogP2.10
TPSA44.37 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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-(4-aminocyclohexyl)azepane-1-carboxamide
CID 79152451
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
N-(1-oxothian-4-yl)piperidine-1-carboxamide
CID 104594568
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
N-(4-oxocyclohexyl)piperidine-1-carboxamide
CID 79155633
N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide
CID 142009370
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide
CID 79161033
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 116657686
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide (CID 79152452) is N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide is CNC1CCC(NC(=O)N2CCCCCC2)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide?
The InChIKey is GFRBCPJSUNKIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-15-12-6-8-13(9-7-12)16-14(18)17-10-4-2-3-5-11-17/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide?
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide is sourced from PubChem (CID 79152452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).