(3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane

C13H22N2 — CID 142035450

IUPAC(3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane
SMILESCC.[H]/N=C/C1(C2=CCCC=C2)CCNC1
InChIInChI=1S/C11H16N2.C2H6/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10;1-2/h2,4-5,8,12-13H,1,3,6-7,9H2;1-2H3/b12-8+;
InChIKeyMXQHDECQVISVCE-MXZHIVQLSA-N
MW206.33 g/mol
LogP2.92
Rot. Bonds2

About (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane

(3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane (PubChem CID 142035450) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane.

Molecular Properties

Compound Name(3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane
PubChem CID142035450
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane
SMILESCC.[H]/N=C/C1(C2=CCCC=C2)CCNC1
InChIInChI=1S/C11H16N2.C2H6/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10;1-2/h2,4-5,8,12-13H,1,3,6-7,9H2;1-2H3/b12-8+;
InChIKeyMXQHDECQVISVCE-MXZHIVQLSA-N
XLogP2.92
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane 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

1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde
CID 91507539
4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine
CID 163507784
1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile
CID 149201129
8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 144998255
ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine
CID 144895641
4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine
CID 145429187
cyclohexa-1,5-dien-1-ol;ethane
CID 143526477
(3S)-3-methyl-3-methylsulfanylpyrrolidine
CID 146248048
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
4-(1,4-diazaspiro[5.5]undecan-1-yl)-2-methanimidoylaniline
CID 143847617

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane?
The IUPAC name of (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane (CID 142035450) is (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane.
What is the SMILES notation for (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane?
The canonical SMILES for (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane is CC.[H]/N=C/C1(C2=CCCC=C2)CCNC1.
What is the InChIKey of (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane?
The InChIKey is MXQHDECQVISVCE-MXZHIVQLSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c12-8-11(6-7-13-9-11)10-4-2-1-3-5-10;1-2/h2,4-5,8,12-13H,1,3,6-7,9H2;1-2H3/b12-8+;.
What are the key properties of (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane?
(3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane has a molecular weight of 206.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane is sourced from PubChem (CID 142035450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).