1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide

C14H27NO — CID 91265050

IUPAC1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide
SMILESCCC(C)(C)CC(C)(C)NC(=O)C1(C)CC1
InChIInChI=1S/C14H27NO/c1-7-12(2,3)10-13(4,5)15-11(16)14(6)8-9-14/h7-10H2,1-6H3,(H,15,16)
InChIKeyPJQOGJZAHYOWMX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.51
Rot. Bonds5

About 1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide

1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide (PubChem CID 91265050) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide
PubChem CID91265050
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide
SMILESCCC(C)(C)CC(C)(C)NC(=O)C1(C)CC1
InChIInChI=1S/C14H27NO/c1-7-12(2,3)10-13(4,5)15-11(16)14(6)8-9-14/h7-10H2,1-6H3,(H,15,16)
InChIKeyPJQOGJZAHYOWMX-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829007
1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide
CID 23621833
2-(2,4,4-trimethylhexan-2-ylcarbamoyl)benzoic acid
CID 171508539
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 64549727
2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid
CID 79803552
1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
CID 80587591
(5-hydroxy-2,4,4-trimethylpentan-2-yl)carbamic acid
CID 88951304
N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
CID 79040016
N-tert-butyl-3-methylazetidine-3-carboxamide
CID 130880266
3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
CID 55167066
methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate
CID 106828159
N-(2,4,4-trimethylheptan-2-yl)acetamide
CID 170293406

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide (CID 91265050) is 1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide is CCC(C)(C)CC(C)(C)NC(=O)C1(C)CC1.
What is the InChIKey of 1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is PJQOGJZAHYOWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-12(2,3)10-13(4,5)15-11(16)14(6)8-9-14/h7-10H2,1-6H3,(H,15,16).
What are the key properties of 1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide?
1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 225.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,4,4-trimethylhexan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91265050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).