(2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine

C9H15N — CID 91555619

IUPAC(2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine
SMILESC=CC/C(C)=C\C=N\CC
InChIInChI=1S/C9H15N/c1-4-6-9(3)7-8-10-5-2/h4,7-8H,1,5-6H2,2-3H3/b9-7-,10-8+
InChIKeyMVNDWRHUFFDQPQ-FKJILZIQSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds4

About (2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine

(2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine (PubChem CID 91555619) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine
PubChem CID91555619
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine
SMILESC=CC/C(C)=C\C=N\CC
InChIInChI=1S/C9H15N/c1-4-6-9(3)7-8-10-5-2/h4,7-8H,1,5-6H2,2-3H3/b9-7-,10-8+
InChIKeyMVNDWRHUFFDQPQ-FKJILZIQSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
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

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CID 21652564
4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
2,2-Dimethyl-2,3-dihydropyridine
CID 91431547
3,3-Dimethylpyridine
CID 129722078
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(Z)-2-fluoro-N,4-dimethylhex-4-en-1-imine
CID 129299980
3-fluoro-3-methyl-2H-pyridine
CID 153958627
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine?
The IUPAC name of (2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine (CID 91555619) is (2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine.
What is the SMILES notation for (2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine?
The canonical SMILES for (2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine is C=CC/C(C)=C\C=N\CC.
What is the InChIKey of (2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine?
The InChIKey is MVNDWRHUFFDQPQ-FKJILZIQSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-9(3)7-8-10-5-2/h4,7-8H,1,5-6H2,2-3H3/b9-7-,10-8+.
What are the key properties of (2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine?
(2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-3-methylhexa-2,5-dien-1-imine is sourced from PubChem (CID 91555619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).