N-(3-methylhex-5-enyl)methanimine

C8H15N — CID 123500890

IUPACN-(3-methylhex-5-enyl)methanimine
SMILESC=CCC(C)CCN=C
InChIInChI=1S/C8H15N/c1-4-5-8(2)6-7-9-3/h4,8H,1,3,5-7H2,2H3
InChIKeyJCFRADJMXVBNTI-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.29
Rot. Bonds5

About N-(3-methylhex-5-enyl)methanimine

N-(3-methylhex-5-enyl)methanimine (PubChem CID 123500890) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(3-methylhex-5-enyl)methanimine.

Molecular Properties

Compound NameN-(3-methylhex-5-enyl)methanimine
PubChem CID123500890
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(3-methylhex-5-enyl)methanimine
SMILESC=CCC(C)CCN=C
InChIInChI=1S/C8H15N/c1-4-5-8(2)6-7-9-3/h4,8H,1,3,5-7H2,2H3
InChIKeyJCFRADJMXVBNTI-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-2-methylidenepentyl)methanimine
CID 22946739
N-(2-ethenyl-3-methylpentyl)ethanimine
CID 91222977
N-(2-butan-2-ylhex-5-enyl)methanimine
CID 123155097
N-(2-ethylhept-4-enyl)methanimine
CID 123472192
N-(2-ethylpent-4-enyl)methanimine
CID 123799673
N-(3-methylocta-5,6-dienyl)methanimine
CID 123805064
N-(3-methylpent-4-enyl)methanimine
CID 123931186
N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine
CID 129074589
N-[(Z)-4-methylhex-1-enyl]methanimine
CID 129309225
4-(2-Isocyanoethyl)hepta-1,6-diene
CID 141112511
ethane;N-(2-methylpent-4-enyl)methanimine
CID 144707823
N-(2-ethylbut-3-enyl)methanimine
CID 153048996

Frequently Asked Questions

What is the IUPAC name of N-(3-methylhex-5-enyl)methanimine?
The IUPAC name of N-(3-methylhex-5-enyl)methanimine (CID 123500890) is N-(3-methylhex-5-enyl)methanimine.
What is the SMILES notation for N-(3-methylhex-5-enyl)methanimine?
The canonical SMILES for N-(3-methylhex-5-enyl)methanimine is C=CCC(C)CCN=C.
What is the InChIKey of N-(3-methylhex-5-enyl)methanimine?
The InChIKey is JCFRADJMXVBNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-8(2)6-7-9-3/h4,8H,1,3,5-7H2,2H3.
What are the key properties of N-(3-methylhex-5-enyl)methanimine?
N-(3-methylhex-5-enyl)methanimine has a molecular weight of 125.21 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylhex-5-enyl)methanimine is sourced from PubChem (CID 123500890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).