3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide

C13H24N2O2 — CID 63708122

IUPAC3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c14-12-3-1-2-11(8-12)13(16)15-9-10-4-6-17-7-5-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyLCRPCLMRMUQIBH-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds3

About 3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide

3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 63708122) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID63708122
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c14-12-3-1-2-11(8-12)13(16)15-9-10-4-6-17-7-5-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyLCRPCLMRMUQIBH-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide (CID 63708122) is 3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC2CCOCC2)C1.
What is the InChIKey of 3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is LCRPCLMRMUQIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-12-3-1-2-11(8-12)13(16)15-9-10-4-6-17-7-5-10/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of 3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide?
3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63708122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).