1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine

C16H31N — CID 166968123

IUPAC1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine
SMILESC=C(CC(C)(C)C)C1CC(CNC)CC1CC
InChIInChI=1S/C16H31N/c1-7-14-8-13(11-17-6)9-15(14)12(2)10-16(3,4)5/h13-15,17H,2,7-11H2,1,3-6H3
InChIKeyWIXCMQQOHUHMAW-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.25
Rot. Bonds5

About 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine

1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine (PubChem CID 166968123) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine
PubChem CID166968123
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine
SMILESC=C(CC(C)(C)C)C1CC(CNC)CC1CC
InChIInChI=1S/C16H31N/c1-7-14-8-13(11-17-6)9-15(14)12(2)10-16(3,4)5/h13-15,17H,2,7-11H2,1,3-6H3
InChIKeyWIXCMQQOHUHMAW-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine 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

4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 58010240
N-methyl-1-[2-(2-methylprop-2-enyl)-4-propylcyclohexyl]methanamine
CID 81029231
N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine
CID 81029595
1-(3-fluorocyclobutyl)-N-methylmethanamine
CID 105430010
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate
CID 160631545
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
1-(3-ethyl-1-methylphosphetan-2-yl)-N-methylmethanamine
CID 129152153
1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine
CID 89398991
1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838867
N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81031709
3,3-dimethyl-1-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119544158

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine (CID 166968123) is 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine is C=C(CC(C)(C)C)C1CC(CNC)CC1CC.
What is the InChIKey of 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine?
The InChIKey is WIXCMQQOHUHMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-7-14-8-13(11-17-6)9-15(14)12(2)10-16(3,4)5/h13-15,17H,2,7-11H2,1,3-6H3.
What are the key properties of 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine?
1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine has a molecular weight of 237.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4-dimethylpent-1-en-2-yl)-4-ethylcyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 166968123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).