4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide

C12H24N2O2 — CID 66092057

IUPAC4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(CCO)CNC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(6-7-15)8-14-12(16)10-2-4-11(13)5-3-10/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyLQPMWHXUYJMVRT-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds5

About 4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide

4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 66092057) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
PubChem CID66092057
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(CCO)CNC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(6-7-15)8-14-12(16)10-2-4-11(13)5-3-10/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyLQPMWHXUYJMVRT-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopentane-1-carboxamide
CID 119817751
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
CID 61274922
N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane
CID 166075449
4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide
CID 114100069
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713
4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
4-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxamide
CID 103795776
2-cyclopentyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107291
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide (CID 66092057) is 4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide is CC(CCO)CNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is LQPMWHXUYJMVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(6-7-15)8-14-12(16)10-2-4-11(13)5-3-10/h9-11,15H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide?
4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 66092057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).