N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine

C10H15N — CID 134373893

IUPACN-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine
SMILESC/C=C\C=C/C(C)=C/N=C/C
InChIInChI=1S/C10H15N/c1-4-6-7-8-10(3)9-11-5-2/h4-9H,1-3H3/b6-4-,8-7-,10-9+,11-5+
InChIKeyMKBMSHFALGDIMO-IWHZTRKXSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds3

About N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine

N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine (PubChem CID 134373893) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine
PubChem CID134373893
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine
SMILESC/C=C\C=C/C(C)=C/N=C/C
InChIInChI=1S/C10H15N/c1-4-6-7-8-10(3)9-11-5-2/h4-9H,1-3H3/b6-4-,8-7-,10-9+,11-5+
InChIKeyMKBMSHFALGDIMO-IWHZTRKXSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
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-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine?
The IUPAC name of N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine (CID 134373893) is N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine.
What is the SMILES notation for N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine?
The canonical SMILES for N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine is C/C=C\C=C/C(C)=C/N=C/C.
What is the InChIKey of N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine?
The InChIKey is MKBMSHFALGDIMO-IWHZTRKXSA-N. The full InChI is InChI=1S/C10H15N/c1-4-6-7-8-10(3)9-11-5-2/h4-9H,1-3H3/b6-4-,8-7-,10-9+,11-5+.
What are the key properties of N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine?
N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z,5Z)-2-methylhepta-1,3,5-trienyl]ethanimine is sourced from PubChem (CID 134373893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).