4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide

C12H22N2O2 — CID 60847092

IUPAC4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C12H22N2O2/c13-10-3-1-9(2-4-10)12(15)14-11-5-7-16-8-6-11/h9-11H,1-8,13H2,(H,14,15)
InChIKeyINIQPJRGCRGZSO-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.80
Rot. Bonds2

About 4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide

4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide (PubChem CID 60847092) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide
PubChem CID60847092
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C12H22N2O2/c13-10-3-1-9(2-4-10)12(15)14-11-5-7-16-8-6-11/h9-11H,1-8,13H2,(H,14,15)
InChIKeyINIQPJRGCRGZSO-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide (CID 60847092) is 4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide is NC1CCC(C(=O)NC2CCOCC2)CC1.
What is the InChIKey of 4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The InChIKey is INIQPJRGCRGZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-10-3-1-9(2-4-10)12(15)14-11-5-7-16-8-6-11/h9-11H,1-8,13H2,(H,14,15).
What are the key properties of 4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide?
4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60847092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).