N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine

C11H17N — CID 130472025

IUPACN-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine
SMILESC=CC=C=N/C=C\CCC(C)C
InChIInChI=1S/C11H17N/c1-4-5-9-12-10-7-6-8-11(2)3/h4-5,7,10-11H,1,6,8H2,2-3H3/b10-7-
InChIKeyJPKLYVDGZYJTBL-YFHOEESVSA-N
MW163.26 g/mol
LogP3.35
Rot. Bonds5

About N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine

N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine (PubChem CID 130472025) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine.

Molecular Properties

Compound NameN-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine
PubChem CID130472025
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine
SMILESC=CC=C=N/C=C\CCC(C)C
InChIInChI=1S/C11H17N/c1-4-5-9-12-10-7-6-8-11(2)3/h4-5,7,10-11H,1,6,8H2,2-3H3/b10-7-
InChIKeyJPKLYVDGZYJTBL-YFHOEESVSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.35
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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Related Compounds

2-ethenyl-N-[(Z)-prop-1-enyl]pentan-1-imine
CID 89064159
N-[(E)-3-ethenylhex-1-enyl]ethanimine
CID 89064164
N-(2-ethenyl-3-ethylpent-1-enyl)methanimine
CID 123606465
N-but-2-enyl-6-methylhept-1-en-1-imine
CID 123862816
N-[(Z)-5-methylhex-1-enyl]prop-2-en-1-imine
CID 126513640
(Z)-N-ethenyl-N-ethyl-3-methylhex-1-en-1-amine
CID 129014053
N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine
CID 129074589
N-[(Z)-4-methylhex-1-enyl]methanimine
CID 129309225
ethane;N-[(Z)-3-methylpent-1-enyl]ethanimine
CID 142054628
N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 142207556
ethane;N-[(E)-2-ethenyl-3-methylpent-1-enyl]methanimine
CID 142388751
N-[(Z)-5-methyl-3-methylidenehex-1-enyl]methanimine
CID 142497470

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine?
The IUPAC name of N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine (CID 130472025) is N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine.
What is the SMILES notation for N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine?
The canonical SMILES for N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine is C=CC=C=N/C=C\CCC(C)C.
What is the InChIKey of N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine?
The InChIKey is JPKLYVDGZYJTBL-YFHOEESVSA-N. The full InChI is InChI=1S/C11H17N/c1-4-5-9-12-10-7-6-8-11(2)3/h4-5,7,10-11H,1,6,8H2,2-3H3/b10-7-.
What are the key properties of N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine?
N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-methylhex-1-enyl]buta-1,3-dien-1-imine is sourced from PubChem (CID 130472025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).