1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide

C16H30N2O — CID 119339856

IUPAC1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC(C)C1CCC(NC(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-12(2)13-6-8-14(9-7-13)18-15(19)16(17)10-4-3-5-11-16/h12-14H,3-11,17H2,1-2H3,(H,18,19)
InChIKeyNIAURSPUKSAEBY-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.98
Rot. Bonds3

About 1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide

1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 119339856) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID119339856
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC(C)C1CCC(NC(=O)C2(N)CCCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-12(2)13-6-8-14(9-7-13)18-15(19)16(17)10-4-3-5-11-16/h12-14H,3-11,17H2,1-2H3,(H,18,19)
InChIKeyNIAURSPUKSAEBY-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide (CID 119339856) is 1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide is CC(C)C1CCC(NC(=O)C2(N)CCCCC2)CC1.
What is the InChIKey of 1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is NIAURSPUKSAEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)13-6-8-14(9-7-13)18-15(19)16(17)10-4-3-5-11-16/h12-14H,3-11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119339856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).