N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine

C11H17N — CID 130348653

IUPACN-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(C=C(C)C)/C=C\C
InChIInChI=1S/C11H17N/c1-6-7-11(8-9(2)3)10(4)12-5/h6-8H,5H2,1-4H3/b7-6-,11-10-
InChIKeyNPVHDDGVRHFSGA-QOXWLJPHSA-N
MW163.26 g/mol
LogP3.50
Rot. Bonds3

About N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine

N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine (PubChem CID 130348653) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine
PubChem CID130348653
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(C=C(C)C)/C=C\C
InChIInChI=1S/C11H17N/c1-6-7-11(8-9(2)3)10(4)12-5/h6-8H,5H2,1-4H3/b7-6-,11-10-
InChIKeyNPVHDDGVRHFSGA-QOXWLJPHSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine (CID 130348653) is N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C(C=C(C)C)/C=C\C.
What is the InChIKey of N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine?
The InChIKey is NPVHDDGVRHFSGA-QOXWLJPHSA-N. The full InChI is InChI=1S/C11H17N/c1-6-7-11(8-9(2)3)10(4)12-5/h6-8H,5H2,1-4H3/b7-6-,11-10-.
What are the key properties of N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine?
N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-5-methyl-3-[(Z)-prop-1-enyl]hexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 130348653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).