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

C17H32N2O — CID 81489736

IUPAC4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC(C)C1CCCCC1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C17H32N2O/c1-12(2)15-5-3-4-6-16(15)19-17(20)14-9-7-13(11-18)8-10-14/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyNTCIYGWCUFBYAQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.08
Rot. Bonds4

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

4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 81489736) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID81489736
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC(C)C1CCCCC1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C17H32N2O/c1-12(2)15-5-3-4-6-16(15)19-17(20)14-9-7-13(11-18)8-10-14/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyNTCIYGWCUFBYAQ-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide (CID 81489736) is 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide is CC(C)C1CCCCC1NC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is NTCIYGWCUFBYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12(2)15-5-3-4-6-16(15)19-17(20)14-9-7-13(11-18)8-10-14/h12-16H,3-11,18H2,1-2H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 81489736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).