(3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine

C10H17N — CID 89313075

IUPAC(3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine
SMILESC/C=C\C=C/C(C)=N/C(C)C
InChIInChI=1S/C10H17N/c1-5-6-7-8-10(4)11-9(2)3/h5-9H,1-4H3/b6-5-,8-7-,11-10+
InChIKeyUBYYIGQFQDPZJQ-MGIQOHHZSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds3

About (3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine

(3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine (PubChem CID 89313075) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine
PubChem CID89313075
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine
SMILESC/C=C\C=C/C(C)=N/C(C)C
InChIInChI=1S/C10H17N/c1-5-6-7-8-10(4)11-9(2)3/h5-9H,1-4H3/b6-5-,8-7-,11-10+
InChIKeyUBYYIGQFQDPZJQ-MGIQOHHZSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
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 (3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine (CID 89313075) is (3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine is C/C=C\C=C/C(C)=N/C(C)C.
What is the InChIKey of (3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine?
The InChIKey is UBYYIGQFQDPZJQ-MGIQOHHZSA-N. The full InChI is InChI=1S/C10H17N/c1-5-6-7-8-10(4)11-9(2)3/h5-9H,1-4H3/b6-5-,8-7-,11-10+.
What are the key properties of (3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine?
(3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-propan-2-ylhepta-3,5-dien-2-imine is sourced from PubChem (CID 89313075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).