N-[(4Z)-4-propylocta-4,6-dienyl]methanimine

C12H21N — CID 146585929

IUPACN-[(4Z)-4-propylocta-4,6-dienyl]methanimine
SMILESC=NCCC/C(=C\C=CC)CCC
InChIInChI=1S/C12H21N/c1-4-6-9-12(8-5-2)10-7-11-13-3/h4,6,9H,3,5,7-8,10-11H2,1-2H3/b6-4?,12-9-
InChIKeyIRWJHBSZXKYFBL-BPXDHVDKSA-N
MW179.31 g/mol
LogP3.77
Rot. Bonds7

About N-[(4Z)-4-propylocta-4,6-dienyl]methanimine

N-[(4Z)-4-propylocta-4,6-dienyl]methanimine (PubChem CID 146585929) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(4Z)-4-propylocta-4,6-dienyl]methanimine.

Molecular Properties

Compound NameN-[(4Z)-4-propylocta-4,6-dienyl]methanimine
PubChem CID146585929
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(4Z)-4-propylocta-4,6-dienyl]methanimine
SMILESC=NCCC/C(=C\C=CC)CCC
InChIInChI=1S/C12H21N/c1-4-6-9-12(8-5-2)10-7-11-13-3/h4,6,9H,3,5,7-8,10-11H2,1-2H3/b6-4?,12-9-
InChIKeyIRWJHBSZXKYFBL-BPXDHVDKSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-propylocta-4,6-dienyl]methanimine?
The IUPAC name of N-[(4Z)-4-propylocta-4,6-dienyl]methanimine (CID 146585929) is N-[(4Z)-4-propylocta-4,6-dienyl]methanimine.
What is the SMILES notation for N-[(4Z)-4-propylocta-4,6-dienyl]methanimine?
The canonical SMILES for N-[(4Z)-4-propylocta-4,6-dienyl]methanimine is C=NCCC/C(=C\C=CC)CCC.
What is the InChIKey of N-[(4Z)-4-propylocta-4,6-dienyl]methanimine?
The InChIKey is IRWJHBSZXKYFBL-BPXDHVDKSA-N. The full InChI is InChI=1S/C12H21N/c1-4-6-9-12(8-5-2)10-7-11-13-3/h4,6,9H,3,5,7-8,10-11H2,1-2H3/b6-4?,12-9-.
What are the key properties of N-[(4Z)-4-propylocta-4,6-dienyl]methanimine?
N-[(4Z)-4-propylocta-4,6-dienyl]methanimine 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 N-[(4Z)-4-propylocta-4,6-dienyl]methanimine is sourced from PubChem (CID 146585929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).