3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide

C14H28N2O2 — CID 114176946

IUPAC3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)12(7-8-17)16-13(18)10-5-4-6-11(15)9-10/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyAQYZDRRSCZZCIC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide

3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide (PubChem CID 114176946) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide
PubChem CID114176946
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)12(7-8-17)16-13(18)10-5-4-6-11(15)9-10/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyAQYZDRRSCZZCIC-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide (CID 114176946) is 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide is CC(C)(C)C(CCO)NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is AQYZDRRSCZZCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)12(7-8-17)16-13(18)10-5-4-6-11(15)9-10/h10-12,17H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide?
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114176946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).