1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide

C12H24N2O2 — CID 119817743

IUPAC1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)C1(N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)7-10(3-6-15)8-14-11(16)12(13)4-5-12/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyNZKHRNUUGQXGDW-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds7

About 1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide

1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide (PubChem CID 119817743) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide
PubChem CID119817743
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)C1(N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)7-10(3-6-15)8-14-11(16)12(13)4-5-12/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyNZKHRNUUGQXGDW-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

1-amino-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 106116803
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
CID 97037485
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111841147
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopentane-1-carboxamide
CID 119817751
1-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)cyclobutane-1-carboxamide
CID 115448709
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119343091
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate
CID 119789223

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide (CID 119817743) is 1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide is CC(C)CC(CCO)CNC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide?
The InChIKey is NZKHRNUUGQXGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)7-10(3-6-15)8-14-11(16)12(13)4-5-12/h9-10,15H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119817743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).