1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide

C11H22N2O2 — CID 66172259

IUPAC1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)C1(N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)6-10(3,15)7-13-9(14)11(12)4-5-11/h8,15H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyNWOCTBYMVHWQAQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds5

About 1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide

1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide (PubChem CID 66172259) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
PubChem CID66172259
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)C1(N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)6-10(3,15)7-13-9(14)11(12)4-5-11/h8,15H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyNWOCTBYMVHWQAQ-UHFFFAOYSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclohexane-1-carboxamide
CID 115437980
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 66180259
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
1-(4-bromophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66179470
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427935
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898712
2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate
CID 79349609
N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide
CID 77114238
2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178769

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide (CID 66172259) is 1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide is CC(C)CC(C)(O)CNC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide?
The InChIKey is NWOCTBYMVHWQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)6-10(3,15)7-13-9(14)11(12)4-5-11/h8,15H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of 1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide?
1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 66172259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).