N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine

C10H15N — CID 90734347

IUPACN-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine
SMILESC=C/C(C)=C\C(=C)/N=C/CC
InChIInChI=1S/C10H15N/c1-5-7-11-10(4)8-9(3)6-2/h6-8H,2,4-5H2,1,3H3/b9-8-,11-7+
InChIKeyCNMVXWSFMZDVPL-NVKZJLNYSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds4

About N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine

N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine (PubChem CID 90734347) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine
PubChem CID90734347
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine
SMILESC=C/C(C)=C\C(=C)/N=C/CC
InChIInChI=1S/C10H15N/c1-5-7-11-10(4)8-9(3)6-2/h6-8H,2,4-5H2,1,3H3/b9-8-,11-7+
InChIKeyCNMVXWSFMZDVPL-NVKZJLNYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 90930168
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine
CID 142004197
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
N-[(3E,5Z)-3-fluoro-7-methylidenenona-1,3,5,8-tetraen-2-yl]ethanimine
CID 169960632
6-Cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
CID 91482385
N-[1-(2-fluorocyclohepta-1,3,4,6-tetraen-1-yl)ethenyl]ethanimine
CID 142913217
(2E,4Z)-2-ethenyl-N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]hexa-2,4-dien-1-imine
CID 144102729
N-[(3Z)-2-(fluoromethyl)hepta-1,3,6-trien-4-yl]ethanimine
CID 144356598
3-Ethylcyclopenta[b]pyrrole
CID 21095452
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine?
The IUPAC name of N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine (CID 90734347) is N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine.
What is the SMILES notation for N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine?
The canonical SMILES for N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine is C=C/C(C)=C\C(=C)/N=C/CC.
What is the InChIKey of N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine?
The InChIKey is CNMVXWSFMZDVPL-NVKZJLNYSA-N. The full InChI is InChI=1S/C10H15N/c1-5-7-11-10(4)8-9(3)6-2/h6-8H,2,4-5H2,1,3H3/b9-8-,11-7+.
What are the key properties of N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine?
N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine is sourced from PubChem (CID 90734347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).