(E)-3-methyl-5-methyliminohex-3-enal

C8H13NO — CID 143978930

IUPAC(E)-3-methyl-5-methyliminohex-3-enal
SMILESC/N=C(C)/C=C(\C)CC=O
InChIInChI=1S/C8H13NO/c1-7(4-5-10)6-8(2)9-3/h5-6H,4H2,1-3H3/b7-6+,9-8+
InChIKeyDXSKLSZCLFGHPM-BLHCBFLLSA-N
MW139.20 g/mol
LogP1.61
Rot. Bonds3

About (E)-3-methyl-5-methyliminohex-3-enal

(E)-3-methyl-5-methyliminohex-3-enal (PubChem CID 143978930) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-3-methyl-5-methyliminohex-3-enal.

Molecular Properties

Compound Name(E)-3-methyl-5-methyliminohex-3-enal
PubChem CID143978930
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(E)-3-methyl-5-methyliminohex-3-enal
SMILESC/N=C(C)/C=C(\C)CC=O
InChIInChI=1S/C8H13NO/c1-7(4-5-10)6-8(2)9-3/h5-6H,4H2,1-3H3/b7-6+,9-8+
InChIKeyDXSKLSZCLFGHPM-BLHCBFLLSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methylimino-3-(trifluoromethyl)hex-3-enal
CID 144806680
4-Methyl-2-methyliminopent-3-enal
CID 87414246
2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enal
CID 89343663
(Z)-2-methyliminopent-3-enal
CID 89534309
2-Ethyliminohex-3-enal
CID 91525888
(E)-2-ethyl-4-methyliminopent-2-enal
CID 123712641
2-[[(Z)-pent-3-en-2-ylidene]amino]propanal
CID 123822724
3-methyl-2H-pyrrole-5-carbaldehyde
CID 125281156
(E)-2-(N-ethyl-C-methylcarbonimidoyl)pent-2-enal
CID 134504091
(Z)-2-methyliminohex-3-enal
CID 143097523
(Z)-2-ethyliminohex-3-enal
CID 143817160
(Z)-2-ethylimino-5-methylideneboranylpent-3-enal
CID 174022225

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-5-methyliminohex-3-enal?
The IUPAC name of (E)-3-methyl-5-methyliminohex-3-enal (CID 143978930) is (E)-3-methyl-5-methyliminohex-3-enal.
What is the SMILES notation for (E)-3-methyl-5-methyliminohex-3-enal?
The canonical SMILES for (E)-3-methyl-5-methyliminohex-3-enal is C/N=C(C)/C=C(\C)CC=O.
What is the InChIKey of (E)-3-methyl-5-methyliminohex-3-enal?
The InChIKey is DXSKLSZCLFGHPM-BLHCBFLLSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(4-5-10)6-8(2)9-3/h5-6H,4H2,1-3H3/b7-6+,9-8+.
What are the key properties of (E)-3-methyl-5-methyliminohex-3-enal?
(E)-3-methyl-5-methyliminohex-3-enal has a molecular weight of 139.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-5-methyliminohex-3-enal is sourced from PubChem (CID 143978930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).