N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine

C14H22N2 — CID 170342402

IUPACN-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine
SMILESC=N/C=C\C=C(\C=C\N1CCCC1)C(C)C
InChIInChI=1S/C14H22N2/c1-13(2)14(7-6-9-15-3)8-12-16-10-4-5-11-16/h6-9,12-13H,3-5,10-11H2,1-2H3/b9-6-,12-8+,14-7-
InChIKeyUPRNLNAMSIBKAY-WVAXMPGNSA-N
MW218.34 g/mol
LogP3.39
Rot. Bonds5

About N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine

N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine (PubChem CID 170342402) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine
PubChem CID170342402
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine
SMILESC=N/C=C\C=C(\C=C\N1CCCC1)C(C)C
InChIInChI=1S/C14H22N2/c1-13(2)14(7-6-9-15-3)8-12-16-10-4-5-11-16/h6-9,12-13H,3-5,10-11H2,1-2H3/b9-6-,12-8+,14-7-
InChIKeyUPRNLNAMSIBKAY-WVAXMPGNSA-N
XLogP3.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.39
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,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine?
The IUPAC name of N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine (CID 170342402) is N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine?
The canonical SMILES for N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine is C=N/C=C\C=C(\C=C\N1CCCC1)C(C)C.
What is the InChIKey of N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine?
The InChIKey is UPRNLNAMSIBKAY-WVAXMPGNSA-N. The full InChI is InChI=1S/C14H22N2/c1-13(2)14(7-6-9-15-3)8-12-16-10-4-5-11-16/h6-9,12-13H,3-5,10-11H2,1-2H3/b9-6-,12-8+,14-7-.
What are the key properties of N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine?
N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine has a molecular weight of 218.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E,5E)-4-propan-2-yl-6-pyrrolidin-1-ylhexa-1,3,5-trienyl]methanimine is sourced from PubChem (CID 170342402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).