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

C17H32N2O — CID 102629042

IUPAC4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NC2CCCC2(C)C)C1(C)C
InChIInChI=1S/C17H32N2O/c1-11-13(18)9-8-12(17(11,4)5)15(20)19-14-7-6-10-16(14,2)3/h11-14H,6-10,18H2,1-5H3,(H,19,20)
InChIKeyGYOZTYFVIGJSLK-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.08
Rot. Bonds2

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

4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102629042) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102629042
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NC2CCCC2(C)C)C1(C)C
InChIInChI=1S/C17H32N2O/c1-11-13(18)9-8-12(17(11,4)5)15(20)19-14-7-6-10-16(14,2)3/h11-14H,6-10,18H2,1-5H3,(H,19,20)
InChIKeyGYOZTYFVIGJSLK-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102629042) is 4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NC2CCCC2(C)C)C1(C)C.
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is GYOZTYFVIGJSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-11-13(18)9-8-12(17(11,4)5)15(20)19-14-7-6-10-16(14,2)3/h11-14H,6-10,18H2,1-5H3,(H,19,20).
What are the key properties of 4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).