(4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine

C12H19N — CID 174337149

IUPAC(4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine
SMILESC=CC(=N\C=C\C)/C(=C\C)C(C)C
InChIInChI=1S/C12H19N/c1-6-9-13-12(8-3)11(7-2)10(4)5/h6-10H,3H2,1-2,4-5H3/b9-6+,11-7-,13-12+
InChIKeyPLQXAELECUCCHF-GIVMNBRKSA-N
MW177.29 g/mol
LogP3.75
Rot. Bonds4

About (4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine

(4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine (PubChem CID 174337149) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine
PubChem CID174337149
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine
SMILESC=CC(=N\C=C\C)/C(=C\C)C(C)C
InChIInChI=1S/C12H19N/c1-6-9-13-12(8-3)11(7-2)10(4)5/h6-10H,3H2,1-2,4-5H3/b9-6+,11-7-,13-12+
InChIKeyPLQXAELECUCCHF-GIVMNBRKSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10998164
Methyl(ethyl) 3h azepine
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CID 129102967
(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
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(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine
CID 166907528
(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine
CID 170107280
2,5-di(propan-2-yl)-3H-azepine
CID 10241356
(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
CID 145143636
7-methyl-7H-indole
CID 20381758
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
4-methyl-5-propan-2-yl-2H-pyrrole
CID 58318552
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine?
The IUPAC name of (4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine (CID 174337149) is (4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine?
The canonical SMILES for (4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine is C=CC(=N\C=C\C)/C(=C\C)C(C)C.
What is the InChIKey of (4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine?
The InChIKey is PLQXAELECUCCHF-GIVMNBRKSA-N. The full InChI is InChI=1S/C12H19N/c1-6-9-13-12(8-3)11(7-2)10(4)5/h6-10H,3H2,1-2,4-5H3/b9-6+,11-7-,13-12+.
What are the key properties of (4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine?
(4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine has a molecular weight of 177.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-propan-2-yl-N-[(E)-prop-1-enyl]hexa-1,4-dien-3-imine is sourced from PubChem (CID 174337149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).