(3Z)-4-methyl-2-propyliminohexa-3,5-dienal

C10H15NO — CID 171811389

IUPAC(3Z)-4-methyl-2-propyliminohexa-3,5-dienal
SMILESC=C/C(C)=C\C(C=O)=N\CCC
InChIInChI=1S/C10H15NO/c1-4-6-11-10(8-12)7-9(3)5-2/h5,7-8H,2,4,6H2,1,3H3/b9-7-,11-10-
InChIKeyIZSRQEYUUQZOBV-MNAJIYKBSA-N
MW165.24 g/mol
LogP2.17
Rot. Bonds5

About (3Z)-4-methyl-2-propyliminohexa-3,5-dienal

(3Z)-4-methyl-2-propyliminohexa-3,5-dienal (PubChem CID 171811389) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3Z)-4-methyl-2-propyliminohexa-3,5-dienal.

Molecular Properties

Compound Name(3Z)-4-methyl-2-propyliminohexa-3,5-dienal
PubChem CID171811389
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3Z)-4-methyl-2-propyliminohexa-3,5-dienal
SMILESC=C/C(C)=C\C(C=O)=N\CCC
InChIInChI=1S/C10H15NO/c1-4-6-11-10(8-12)7-9(3)5-2/h5,7-8H,2,4,6H2,1,3H3/b9-7-,11-10-
InChIKeyIZSRQEYUUQZOBV-MNAJIYKBSA-N
XLogP2.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.17
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dienal
CID 153396831
4-Methyl-2-methyliminopent-3-enal
CID 87414246
2-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]iminobut-3-enal
CID 88949195
(Z)-3-ethenyl-5-methyliminopent-3-enal
CID 88961130
(3Z)-2-ethenyliminohexa-3,5-dienal
CID 89248761
(Z)-2-methyliminopent-3-enal
CID 89534309
3-(4-Ethyliminocyclohexa-1,5-dien-1-yl)prop-2-enal
CID 91243948
8-Propan-2-yliminoocta-3,5,6-trienal
CID 91282011
2-Ethyliminohex-3-enal
CID 91525888
2H-azepine-7-carbaldehyde
CID 91805301
2-[[(Z)-pent-3-en-2-ylidene]amino]propanal
CID 123822724
3-methyl-2H-pyrrole-5-carbaldehyde
CID 125281156

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methyl-2-propyliminohexa-3,5-dienal?
The IUPAC name of (3Z)-4-methyl-2-propyliminohexa-3,5-dienal (CID 171811389) is (3Z)-4-methyl-2-propyliminohexa-3,5-dienal.
What is the SMILES notation for (3Z)-4-methyl-2-propyliminohexa-3,5-dienal?
The canonical SMILES for (3Z)-4-methyl-2-propyliminohexa-3,5-dienal is C=C/C(C)=C\C(C=O)=N\CCC.
What is the InChIKey of (3Z)-4-methyl-2-propyliminohexa-3,5-dienal?
The InChIKey is IZSRQEYUUQZOBV-MNAJIYKBSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-11-10(8-12)7-9(3)5-2/h5,7-8H,2,4,6H2,1,3H3/b9-7-,11-10-.
What are the key properties of (3Z)-4-methyl-2-propyliminohexa-3,5-dienal?
(3Z)-4-methyl-2-propyliminohexa-3,5-dienal has a molecular weight of 165.24 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methyl-2-propyliminohexa-3,5-dienal is sourced from PubChem (CID 171811389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).