4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide

C16H31N3O — CID 65075797

IUPAC4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide
SMILESCC(C)N1CCCC(NC2CCCCC2)(C(N)=O)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)19-11-6-9-16(10-12-19,15(17)20)18-14-7-4-3-5-8-14/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyPHQZYBXMAHTVEZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.03
Rot. Bonds4

About 4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide

4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide (PubChem CID 65075797) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide
PubChem CID65075797
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide
SMILESCC(C)N1CCCC(NC2CCCCC2)(C(N)=O)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)19-11-6-9-16(10-12-19,15(17)20)18-14-7-4-3-5-8-14/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyPHQZYBXMAHTVEZ-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65076211
methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60999032
1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
CID 65089013
1-(cyclopentylamino)cyclopropane-1-carboxamide
CID 103950092
4-(butan-2-ylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65076096
1-(cyclopropylamino)cyclooctane-1-carboxamide
CID 60795922
methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60797308
1-(cyclopentylamino)-4-methylcyclohexane-1-carboxamide
CID 61002718
4-(4-methylanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075790
methyl 4-(cyclopropylmethylamino)-1-propan-2-ylazepane-4-carboxylate
CID 65076110
1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide
CID 107429240
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide (CID 65075797) is 4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide is CC(C)N1CCCC(NC2CCCCC2)(C(N)=O)CC1.
What is the InChIKey of 4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide?
The InChIKey is PHQZYBXMAHTVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)19-11-6-9-16(10-12-19,15(17)20)18-14-7-4-3-5-8-14/h13-14,18H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of 4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide?
4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide is sourced from PubChem (CID 65075797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).