(2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine

C10H17N — CID 142585371

IUPAC(2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)C(C)C
InChIInChI=1S/C10H17N/c1-5-6-7-10(8-11-4)9(2)3/h5-9H,1-4H3/b6-5+,10-7+,11-8+
InChIKeyAISPNSKAOVSNAD-CQBDNMEGSA-N
MW151.25 g/mol
LogP2.85
Rot. Bonds3

About (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine

(2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine (PubChem CID 142585371) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine
PubChem CID142585371
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)C(C)C
InChIInChI=1S/C10H17N/c1-5-6-7-10(8-11-4)9(2)3/h5-9H,1-4H3/b6-5+,10-7+,11-8+
InChIKeyAISPNSKAOVSNAD-CQBDNMEGSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine with MolForge

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Related Compounds

(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine
CID 130390089
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride
CID 169231431
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine
CID 101404446
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine
CID 143995117
(E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine
CID 147638219
1-phenyl-N-propylmethanimine;yttrium
CID 58003847

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine (CID 142585371) is (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine is C/C=C/C=C(\C=N\C)C(C)C.
What is the InChIKey of (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine?
The InChIKey is AISPNSKAOVSNAD-CQBDNMEGSA-N. The full InChI is InChI=1S/C10H17N/c1-5-6-7-10(8-11-4)9(2)3/h5-9H,1-4H3/b6-5+,10-7+,11-8+.
What are the key properties of (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine?
(2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 142585371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).