N-(4-methylhex-5-en-2-yl)methanimine

C8H15N — CID 163872435

IUPACN-(4-methylhex-5-en-2-yl)methanimine
SMILESC=CC(C)CC(C)N=C
InChIInChI=1S/C8H15N/c1-5-7(2)6-8(3)9-4/h5,7-8H,1,4,6H2,2-3H3
InChIKeyPLZRWEZFFCGNNX-UHFFFAOYSA-N
MW125.22 g/mol
LogP2.29
Rot. Bonds4

About N-(4-methylhex-5-en-2-yl)methanimine

N-(4-methylhex-5-en-2-yl)methanimine (PubChem CID 163872435) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is N-(4-methylhex-5-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-methylhex-5-en-2-yl)methanimine
PubChem CID163872435
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC NameN-(4-methylhex-5-en-2-yl)methanimine
SMILESC=CC(C)CC(C)N=C
InChIInChI=1S/C8H15N/c1-5-7(2)6-8(3)9-4/h5,7-8H,1,4,6H2,2-3H3
InChIKeyPLZRWEZFFCGNNX-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
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-(4,5-dimethylhept-1-en-3-yl)methanimine
CID 91132853
N-hept-6-en-3-ylmethanimine
CID 91148336
N-(6-prop-1-enylcyclohex-3-en-1-yl)methanimine
CID 123299402
N-(3-methylhex-5-enyl)methanimine
CID 123500890
N-(2-ethylpent-4-enyl)methanimine
CID 123799673
N-(3-methylpent-4-enyl)methanimine
CID 123931186
N-hept-1-en-4-ylmethanimine
CID 124182016
N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]methanimine
CID 142464992
ethane;N-(2-methylpent-4-enyl)methanimine
CID 144707823
N-(2-ethylbut-3-enyl)methanimine
CID 153048996
N-(3-methylpent-4-en-2-yl)methanimine
CID 154516210
4-Isocyanato-6-methylhept-1-ene
CID 163278423

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhex-5-en-2-yl)methanimine?
The IUPAC name of N-(4-methylhex-5-en-2-yl)methanimine (CID 163872435) is N-(4-methylhex-5-en-2-yl)methanimine.
What is the SMILES notation for N-(4-methylhex-5-en-2-yl)methanimine?
The canonical SMILES for N-(4-methylhex-5-en-2-yl)methanimine is C=CC(C)CC(C)N=C.
What is the InChIKey of N-(4-methylhex-5-en-2-yl)methanimine?
The InChIKey is PLZRWEZFFCGNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(2)6-8(3)9-4/h5,7-8H,1,4,6H2,2-3H3.
What are the key properties of N-(4-methylhex-5-en-2-yl)methanimine?
N-(4-methylhex-5-en-2-yl)methanimine has a molecular weight of 125.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhex-5-en-2-yl)methanimine is sourced from PubChem (CID 163872435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).