2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide

C13H24N2O2 — CID 103811440

IUPAC2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NC1CCCC1CO
InChIInChI=1S/C13H24N2O2/c14-11-6-2-1-5-10(11)13(17)15-12-7-3-4-9(12)8-16/h9-12,16H,1-8,14H2,(H,15,17)
InChIKeyZVJOENJVJJVALF-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.78
Rot. Bonds3

About 2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide

2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide (PubChem CID 103811440) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide
PubChem CID103811440
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NC1CCCC1CO
InChIInChI=1S/C13H24N2O2/c14-11-6-2-1-5-10(11)13(17)15-12-7-3-4-9(12)8-16/h9-12,16H,1-8,14H2,(H,15,17)
InChIKeyZVJOENJVJJVALF-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide (CID 103811440) is 2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide is NC1CCCCC1C(=O)NC1CCCC1CO.
What is the InChIKey of 2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide?
The InChIKey is ZVJOENJVJJVALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-11-6-2-1-5-10(11)13(17)15-12-7-3-4-9(12)8-16/h9-12,16H,1-8,14H2,(H,15,17).
What are the key properties of 2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide?
2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103811440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).