3-propylhexa-2,4-dien-1-imine

C9H15N — CID 123863883

IUPAC3-propylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(C=CC)CCC
InChIInChI=1S/C9H15N/c1-3-5-9(6-4-2)7-8-10/h3,5,7-8,10H,4,6H2,1-2H3/b5-3?,9-7?,10-8+
InChIKeyIBCFMGAZXZQVMD-YWBPJPLTSA-N
MW137.23 g/mol
LogP2.94
Rot. Bonds4

About 3-propylhexa-2,4-dien-1-imine

3-propylhexa-2,4-dien-1-imine (PubChem CID 123863883) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-propylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name3-propylhexa-2,4-dien-1-imine
PubChem CID123863883
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-propylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(C=CC)CCC
InChIInChI=1S/C9H15N/c1-3-5-9(6-4-2)7-8-10/h3,5,7-8,10H,4,6H2,1-2H3/b5-3?,9-7?,10-8+
InChIKeyIBCFMGAZXZQVMD-YWBPJPLTSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
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

(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
CID 90273683
7,7,7-Trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 91534333
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
4-Ethyl-5-fluoroocta-4,6-diene-1,3-diimine
CID 123282351
3-[4-(1,1-Difluoroethyl)cyclohepta-1,4,6-trien-1-yl]prop-2-en-1-imine
CID 123811165
(2Z,4Z)-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 148480677
(2Z,4Z)-2-ethenyl-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 164068110
(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
CID 166907396
(2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine
CID 169164822
4-Methylnona-2,4,6,8-tetraen-1-imine
CID 91326389
4-Methylpenta-2,4-dienylideneazanium
CID 91576873
Octa-2,6-dien-1-imine
CID 172654188

Frequently Asked Questions

What is the IUPAC name of 3-propylhexa-2,4-dien-1-imine?
The IUPAC name of 3-propylhexa-2,4-dien-1-imine (CID 123863883) is 3-propylhexa-2,4-dien-1-imine.
What is the SMILES notation for 3-propylhexa-2,4-dien-1-imine?
The canonical SMILES for 3-propylhexa-2,4-dien-1-imine is [H]/N=C/C=C(C=CC)CCC.
What is the InChIKey of 3-propylhexa-2,4-dien-1-imine?
The InChIKey is IBCFMGAZXZQVMD-YWBPJPLTSA-N. The full InChI is InChI=1S/C9H15N/c1-3-5-9(6-4-2)7-8-10/h3,5,7-8,10H,4,6H2,1-2H3/b5-3?,9-7?,10-8+.
What are the key properties of 3-propylhexa-2,4-dien-1-imine?
3-propylhexa-2,4-dien-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylhexa-2,4-dien-1-imine is sourced from PubChem (CID 123863883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).