N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine

C10H17N — CID 89325079

IUPACN-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
SMILESC=NC(=C/CC)/C(C)=C\CC
InChIInChI=1S/C10H17N/c1-5-7-9(3)10(11-4)8-6-2/h7-8H,4-6H2,1-3H3/b9-7-,10-8+
InChIKeyMJCYVPMIGYBMRL-FKJILZIQSA-N
MW151.25 g/mol
LogP3.34
Rot. Bonds4

About N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine

N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine (PubChem CID 89325079) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
PubChem CID89325079
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
SMILESC=NC(=C/CC)/C(C)=C\CC
InChIInChI=1S/C10H17N/c1-5-7-9(3)10(11-4)8-6-2/h7-8H,4-6H2,1-3H3/b9-7-,10-8+
InChIKeyMJCYVPMIGYBMRL-FKJILZIQSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.34
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-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine?
The IUPAC name of N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine (CID 89325079) is N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine.
What is the SMILES notation for N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine?
The canonical SMILES for N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine is C=NC(=C/CC)/C(C)=C\CC.
What is the InChIKey of N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine?
The InChIKey is MJCYVPMIGYBMRL-FKJILZIQSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-9(3)10(11-4)8-6-2/h7-8H,4-6H2,1-3H3/b9-7-,10-8+.
What are the key properties of N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine?
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine has a molecular weight of 151.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine is sourced from PubChem (CID 89325079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).