1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine

C17H23N — CID 143143751

IUPAC1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine
SMILESC=CC1=C(CC)CC(CNC)(c2ccccc2)C1
InChIInChI=1S/C17H23N/c1-4-14-11-17(13-18-3,12-15(14)5-2)16-9-7-6-8-10-16/h4,6-10,18H,1,5,11-13H2,2-3H3
InChIKeyOJQSCLXGMRLTKW-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.83
Rot. Bonds5

About 1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine

1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine (PubChem CID 143143751) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine
PubChem CID143143751
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine
SMILESC=CC1=C(CC)CC(CNC)(c2ccccc2)C1
InChIInChI=1S/C17H23N/c1-4-14-11-17(13-18-3,12-15(14)5-2)16-9-7-6-8-10-16/h4,6-10,18H,1,5,11-13H2,2-3H3
InChIKeyOJQSCLXGMRLTKW-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine
CID 105464919
1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine
CID 105447374
1'-ethenyl-2'-ethylspiro[3,6-dihydro-1H-azulene-2,4'-cyclopentene]
CID 153378817
1-[1-(2-ethylphenyl)cyclopropyl]-N-methylmethanamine
CID 105425246
N-methyl-1-[1-(4-methylphenyl)-3-phenylcyclobutyl]methanamine
CID 65014336
cis-(1R,2R)-2-methyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carbaldehyde
CID 70983966
N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine
CID 142271322
2-methyl-1-[(1-phenylcyclobutyl)methyl]-3-prop-2-enylguanidine
CID 110982833
1-ethyl-2-[(1-phenylcyclopropyl)methyl]-3-prop-2-enylguanidine
CID 110982843
2-methyl-1-[(1-phenylcyclopentyl)methyl]-3-prop-2-enylguanidine
CID 110982827
N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine
CID 65014530
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine
CID 65004114

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine (CID 143143751) is 1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine is C=CC1=C(CC)CC(CNC)(c2ccccc2)C1.
What is the InChIKey of 1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine?
The InChIKey is OJQSCLXGMRLTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-14-11-17(13-18-3,12-15(14)5-2)16-9-7-6-8-10-16/h4,6-10,18H,1,5,11-13H2,2-3H3.
What are the key properties of 1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine?
1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine has a molecular weight of 241.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine is sourced from PubChem (CID 143143751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).