N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine

C11H19N — CID 134386687

IUPACN-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C/CC)C(C)C
InChIInChI=1S/C11H19N/c1-6-7-11(9(2)3)8-10(4)12-5/h7-9H,5-6H2,1-4H3/b10-8-,11-7+
InChIKeyRVFGYYQVQQSNAP-FIUNUOGESA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds4

About N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine

N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine (PubChem CID 134386687) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine
PubChem CID134386687
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C/CC)C(C)C
InChIInChI=1S/C11H19N/c1-6-7-11(9(2)3)8-10(4)12-5/h7-9H,5-6H2,1-4H3/b10-8-,11-7+
InChIKeyRVFGYYQVQQSNAP-FIUNUOGESA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine (CID 134386687) is N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C(=C/CC)C(C)C.
What is the InChIKey of N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine?
The InChIKey is RVFGYYQVQQSNAP-FIUNUOGESA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-11(9(2)3)8-10(4)12-5/h7-9H,5-6H2,1-4H3/b10-8-,11-7+.
What are the key properties of N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine?
N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-4-propan-2-ylhepta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 134386687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).