1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine

C13H23N — CID 116662200

IUPAC1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine
SMILESCCC1CC1(CNC)C1=CCCCC1
InChIInChI=1S/C13H23N/c1-3-11-9-13(11,10-14-2)12-7-5-4-6-8-12/h7,11,14H,3-6,8-10H2,1-2H3
InChIKeyHRXYVVXSEVPMHY-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.12
Rot. Bonds4

About 1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine

1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine (PubChem CID 116662200) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine
PubChem CID116662200
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine
SMILESCCC1CC1(CNC)C1=CCCCC1
InChIInChI=1S/C13H23N/c1-3-11-9-13(11,10-14-2)12-7-5-4-6-8-12/h7,11,14H,3-6,8-10H2,1-2H3
InChIKeyHRXYVVXSEVPMHY-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(cyclohexen-1-yl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 116662255
4-(cyclohexen-1-yl)-3-ethylpiperidin-4-ol
CID 106651647
1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 116662210
1-(cyclohexen-1-yl)-3-ethylcyclobutane-1-carboxylic acid
CID 116659324
N-[[1-(cyclohexen-1-yl)cyclopentyl]methyl]ethanamine
CID 116662225
N-[[1-(cyclohexen-1-yl)-3-phenylcyclobutyl]methyl]ethanamine
CID 116662248
N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 116662377
1-(cyclohexen-1-yl)-3-propylbicyclo[2.2.0]hexane
CID 163848568
2-[(1R,2S)-2-(cyclohexen-1-yl)-2-hydroxycyclopropyl]acetaldehyde
CID 11008531
1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 106651160
[1-(cyclohexen-1-yl)cyclopent-3-en-1-yl]methanamine
CID 116659353
calcium 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
CID 23618796

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine (CID 116662200) is 1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine is CCC1CC1(CNC)C1=CCCCC1.
What is the InChIKey of 1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine?
The InChIKey is HRXYVVXSEVPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-11-9-13(11,10-14-2)12-7-5-4-6-8-12/h7,11,14H,3-6,8-10H2,1-2H3.
What are the key properties of 1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine?
1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine has a molecular weight of 193.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116662200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).