N-(4-methylhex-4-enyl)ethanimine

C9H17N — CID 123138690

IUPACN-(4-methylhex-4-enyl)ethanimine
SMILESCC=C(C)CCC/N=C/C
InChIInChI=1S/C9H17N/c1-4-9(3)7-6-8-10-5-2/h4-5H,6-8H2,1-3H3/b9-4?,10-5+
InChIKeyANYXJNKTFABKJN-PBOGUKDESA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds4

About N-(4-methylhex-4-enyl)ethanimine

N-(4-methylhex-4-enyl)ethanimine (PubChem CID 123138690) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(4-methylhex-4-enyl)ethanimine.

Molecular Properties

Compound NameN-(4-methylhex-4-enyl)ethanimine
PubChem CID123138690
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(4-methylhex-4-enyl)ethanimine
SMILESCC=C(C)CCC/N=C/C
InChIInChI=1S/C9H17N/c1-4-9(3)7-6-8-10-5-2/h4-5H,6-8H2,1-3H3/b9-4?,10-5+
InChIKeyANYXJNKTFABKJN-PBOGUKDESA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
2-fluoro-5-methyl-3,4-dihydro-2H-azepine
CID 123433072
N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine
CID 123683732
(Z)-2-fluoro-N,4-dimethylhex-4-en-1-imine
CID 129299980
N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine
CID 167199959
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
1-(6-methylhept-5-enyl)-3,4-dihydro-2H-pyrrol-1-ium
CID 134837657
Squalene N-methylimine
CID 6450082
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
4-Ethyl-2,3-dihydropyridine
CID 54137700
N-hexylhex-3-en-1-imine
CID 56985502

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhex-4-enyl)ethanimine?
The IUPAC name of N-(4-methylhex-4-enyl)ethanimine (CID 123138690) is N-(4-methylhex-4-enyl)ethanimine.
What is the SMILES notation for N-(4-methylhex-4-enyl)ethanimine?
The canonical SMILES for N-(4-methylhex-4-enyl)ethanimine is CC=C(C)CCC/N=C/C.
What is the InChIKey of N-(4-methylhex-4-enyl)ethanimine?
The InChIKey is ANYXJNKTFABKJN-PBOGUKDESA-N. The full InChI is InChI=1S/C9H17N/c1-4-9(3)7-6-8-10-5-2/h4-5H,6-8H2,1-3H3/b9-4?,10-5+.
What are the key properties of N-(4-methylhex-4-enyl)ethanimine?
N-(4-methylhex-4-enyl)ethanimine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhex-4-enyl)ethanimine is sourced from PubChem (CID 123138690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).