N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine

C12H20N2 — CID 138500944

IUPACN-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(/C)C=CCCN1CCCC1
InChIInChI=1S/C12H20N2/c1-12(11-13-2)7-3-4-8-14-9-5-6-10-14/h3,7,11H,2,4-6,8-10H2,1H3/b7-3?,12-11-
InChIKeyKYLSVUXHIURLMQ-MTKXHLDGSA-N
MW192.31 g/mol
LogP2.63
Rot. Bonds5

About N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine

N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine (PubChem CID 138500944) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine
PubChem CID138500944
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(/C)C=CCCN1CCCC1
InChIInChI=1S/C12H20N2/c1-12(11-13-2)7-3-4-8-14-9-5-6-10-14/h3,7,11H,2,4-6,8-10H2,1H3/b7-3?,12-11-
InChIKeyKYLSVUXHIURLMQ-MTKXHLDGSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine 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-[(1E,3E)-5-cyclopenta-2,4-dien-1-ylidenepenta-1,3-dienyl]pyrrolidine
CID 134852248
(E,4E)-4-(pyrrolidin-1-ylmethylidene)hex-2-enenitrile
CID 10942995
N-butyl-N-(cyclopenta-2,4-dien-1-ylidenemethyl)butan-1-amine
CID 19936023
4-(Pyrrolidin-1-ylmethylidene)hex-2-enenitrile
CID 53919743
1-Hexa-1,3-dienylpyrrolidine
CID 54358934
1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine
CID 88571561
(2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine
CID 88586056
1-[(2E,4Z,6Z)-4-methylocta-2,4,6-trienyl]pyrrolidine
CID 89211431
2-bromo-1-methylidene-5-(pyrrolidin-1-ylmethyl)-2H-pyridin-1-ium
CID 123406326
1-[(4Z,6Z)-6-methyl-3-methylidenenona-4,6,8-trienyl]pyrrolidine
CID 137429264
1-[(3Z,4Z)-3-ethylidene-6-methylideneocta-4,7-dienyl]pyrrolidine
CID 138479930
1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]pyrrolidine
CID 138510549

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine (CID 138500944) is N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine is C=N/C=C(/C)C=CCCN1CCCC1.
What is the InChIKey of N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine?
The InChIKey is KYLSVUXHIURLMQ-MTKXHLDGSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(11-13-2)7-3-4-8-14-9-5-6-10-14/h3,7,11H,2,4-6,8-10H2,1H3/b7-3?,12-11-.
What are the key properties of N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine?
N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine has a molecular weight of 192.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-methyl-6-pyrrolidin-1-ylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 138500944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).