N-[(E)-3-methylhex-3-en-2-yl]methanimine

C8H15N — CID 143536776

IUPACN-[(E)-3-methylhex-3-en-2-yl]methanimine
SMILESC=NC(C)/C(C)=C/CC
InChIInChI=1S/C8H15N/c1-5-6-7(2)8(3)9-4/h6,8H,4-5H2,1-3H3/b7-6+
InChIKeyOOMMVIQYMOAIFK-VOTSOKGWSA-N
MW125.22 g/mol
LogP2.43
Rot. Bonds3

About N-[(E)-3-methylhex-3-en-2-yl]methanimine

N-[(E)-3-methylhex-3-en-2-yl]methanimine (PubChem CID 143536776) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is N-[(E)-3-methylhex-3-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(E)-3-methylhex-3-en-2-yl]methanimine
PubChem CID143536776
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC NameN-[(E)-3-methylhex-3-en-2-yl]methanimine
SMILESC=NC(C)/C(C)=C/CC
InChIInChI=1S/C8H15N/c1-5-6-7(2)8(3)9-4/h6,8H,4-5H2,1-3H3/b7-6+
InChIKeyOOMMVIQYMOAIFK-VOTSOKGWSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 52.43
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

(E,2R)-3-methylhex-3-en-2-amine
CID 146859099
(Z)-4,5-dimethylhept-3-ene
CID 142511472
(Z)-2-propan-2-yloxypent-2-ene
CID 145137792
(E,2R)-2,3-dimethylhex-3-enal
CID 88870284
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
CID 130323388
(5E)-2,5-dimethylocta-1,5-dien-4-ol
CID 10796974
(E)-N-ethyl-N,3-dimethylhex-3-en-2-amine
CID 163431483
N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine
CID 170405604
[(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene
CID 176953157
4,5,6,8-tetramethyldec-3-ene
CID 123219035
(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine
CID 137427614

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylhex-3-en-2-yl]methanimine?
The IUPAC name of N-[(E)-3-methylhex-3-en-2-yl]methanimine (CID 143536776) is N-[(E)-3-methylhex-3-en-2-yl]methanimine.
What is the SMILES notation for N-[(E)-3-methylhex-3-en-2-yl]methanimine?
The canonical SMILES for N-[(E)-3-methylhex-3-en-2-yl]methanimine is C=NC(C)/C(C)=C/CC.
What is the InChIKey of N-[(E)-3-methylhex-3-en-2-yl]methanimine?
The InChIKey is OOMMVIQYMOAIFK-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15N/c1-5-6-7(2)8(3)9-4/h6,8H,4-5H2,1-3H3/b7-6+.
What are the key properties of N-[(E)-3-methylhex-3-en-2-yl]methanimine?
N-[(E)-3-methylhex-3-en-2-yl]methanimine has a molecular weight of 125.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylhex-3-en-2-yl]methanimine is sourced from PubChem (CID 143536776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).