(6E)-N-propylnona-1,6-dien-5-imine

C12H21N — CID 143113134

IUPAC(6E)-N-propylnona-1,6-dien-5-imine
SMILESC=CCCC(/C=C/CC)=N\CCC
InChIInChI=1S/C12H21N/c1-4-7-9-12(10-8-5-2)13-11-6-3/h4,8,10H,1,5-7,9,11H2,2-3H3/b10-8+,13-12+
InChIKeyVXDPRZLWQOCZMO-QZWQQMBISA-N
MW179.31 g/mol
LogP3.77
Rot. Bonds7

About (6E)-N-propylnona-1,6-dien-5-imine

(6E)-N-propylnona-1,6-dien-5-imine (PubChem CID 143113134) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (6E)-N-propylnona-1,6-dien-5-imine.

Molecular Properties

Compound Name(6E)-N-propylnona-1,6-dien-5-imine
PubChem CID143113134
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(6E)-N-propylnona-1,6-dien-5-imine
SMILESC=CCCC(/C=C/CC)=N\CCC
InChIInChI=1S/C12H21N/c1-4-7-9-12(10-8-5-2)13-11-6-3/h4,8,10H,1,5-7,9,11H2,2-3H3/b10-8+,13-12+
InChIKeyVXDPRZLWQOCZMO-QZWQQMBISA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
Koreenceine A
CID 146683591
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6-Ethyl-2,3-dihydropyridine
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CID 67991646
N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine
CID 89341029
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
N-(6-fluorohex-4-enyl)butan-2-imine
CID 123917895

Frequently Asked Questions

What is the IUPAC name of (6E)-N-propylnona-1,6-dien-5-imine?
The IUPAC name of (6E)-N-propylnona-1,6-dien-5-imine (CID 143113134) is (6E)-N-propylnona-1,6-dien-5-imine.
What is the SMILES notation for (6E)-N-propylnona-1,6-dien-5-imine?
The canonical SMILES for (6E)-N-propylnona-1,6-dien-5-imine is C=CCCC(/C=C/CC)=N\CCC.
What is the InChIKey of (6E)-N-propylnona-1,6-dien-5-imine?
The InChIKey is VXDPRZLWQOCZMO-QZWQQMBISA-N. The full InChI is InChI=1S/C12H21N/c1-4-7-9-12(10-8-5-2)13-11-6-3/h4,8,10H,1,5-7,9,11H2,2-3H3/b10-8+,13-12+.
What are the key properties of (6E)-N-propylnona-1,6-dien-5-imine?
(6E)-N-propylnona-1,6-dien-5-imine has a molecular weight of 179.31 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-N-propylnona-1,6-dien-5-imine is sourced from PubChem (CID 143113134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).