4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide

C15H28N2O — CID 114551073

IUPAC4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H28N2O/c1-10-8-11(16)4-5-13(10)14(18)17-12-6-7-15(2,3)9-12/h10-13H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyVFYIJLTVVCVCNS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.44
Rot. Bonds2

About 4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide

4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide (PubChem CID 114551073) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide
PubChem CID114551073
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H28N2O/c1-10-8-11(16)4-5-13(10)14(18)17-12-6-7-15(2,3)9-12/h10-13H,4-9,16H2,1-3H3,(H,17,18)
InChIKeyVFYIJLTVVCVCNS-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide (CID 114551073) is 4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide?
The InChIKey is VFYIJLTVVCVCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10-8-11(16)4-5-13(10)14(18)17-12-6-7-15(2,3)9-12/h10-13H,4-9,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide?
4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3-dimethylcyclopentyl)-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 114551073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).