1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide

C15H28N2O — CID 80706275

IUPAC1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCC(NC2CCCCCC2)(C(N)=O)C1
InChIInChI=1S/C15H28N2O/c1-14(2)9-10-15(11-14,13(16)18)17-12-7-5-3-4-6-8-12/h12,17H,3-11H2,1-2H3,(H2,16,18)
InChIKeyQGEAKSKNGPYLNX-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.73
Rot. Bonds3

About 1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide

1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide (PubChem CID 80706275) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
PubChem CID80706275
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCC(NC2CCCCCC2)(C(N)=O)C1
InChIInChI=1S/C15H28N2O/c1-14(2)9-10-15(11-14,13(16)18)17-12-7-5-3-4-6-8-12/h12,17H,3-11H2,1-2H3,(H2,16,18)
InChIKeyQGEAKSKNGPYLNX-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide (CID 80706275) is 1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide is CC1(C)CCC(NC2CCCCCC2)(C(N)=O)C1.
What is the InChIKey of 1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide?
The InChIKey is QGEAKSKNGPYLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2)9-10-15(11-14,13(16)18)17-12-7-5-3-4-6-8-12/h12,17H,3-11H2,1-2H3,(H2,16,18).
What are the key properties of 1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide?
1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 80706275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).