2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide

C14H27NO — CID 143490442

IUPAC2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide
SMILESC=C(C)CC.CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C9H17NO.C5H10/c1-7-3-5-9(6-4-7)10-8(2)11;1-4-5(2)3/h7,9H,3-6H2,1-2H3,(H,10,11);2,4H2,1,3H3
InChIKeyLHCAONAOHPEJPQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.67
Rot. Bonds2

About 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide

2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide (PubChem CID 143490442) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide
PubChem CID143490442
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide
SMILESC=C(C)CC.CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C9H17NO.C5H10/c1-7-3-5-9(6-4-7)10-8(2)11;1-4-5(2)3/h7,9H,3-6H2,1-2H3,(H,10,11);2,4H2,1,3H3
InChIKeyLHCAONAOHPEJPQ-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropylacetamide;1-methyl-4-propan-2-ylcyclohexane
CID 90040795
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
2-(methylamino)-N-(4-methylcyclohexyl)acetamide
CID 24706829
N-(4-methylcyclohexyl)-2-(propylamino)acetamide
CID 60671942
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
N-[4-(ethylaminomethyl)cyclohexyl]acetamide
CID 118947012
N-[4-[ethyl(methyl)amino]cyclohexyl]acetamide
CID 134516968
1-cyclobutyl-3-(4-methylcyclohexyl)urea
CID 103653458
3-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 90305092
ethyl N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]carbamate
CID 47030916
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025

Frequently Asked Questions

What is the IUPAC name of 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide (CID 143490442) is 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide is C=C(C)CC.CC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide?
The InChIKey is LHCAONAOHPEJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C5H10/c1-7-3-5-9(6-4-7)10-8(2)11;1-4-5(2)3/h7,9H,3-6H2,1-2H3,(H,10,11);2,4H2,1,3H3.
What are the key properties of 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide?
2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide has a molecular weight of 225.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-1-ene;N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 143490442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).