4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide

C14H26N2O — CID 21470524

IUPAC4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h11-13H,1-10,15H2,(H,16,17)
InChIKeyLMDVNGAHFBWKJL-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.20
Rot. Bonds3

About 4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide

4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide (PubChem CID 21470524) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide
PubChem CID21470524
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h11-13H,1-10,15H2,(H,16,17)
InChIKeyLMDVNGAHFBWKJL-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide (CID 21470524) is 4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide is NCC1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide?
The InChIKey is LMDVNGAHFBWKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h11-13H,1-10,15H2,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclohexylcyclohexane-1-carboxamide is sourced from PubChem (CID 21470524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).