(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine

C10H17NO — CID 143006742

IUPAC(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine
SMILESC=C/C=C(\C=C)CC=O.CNC
InChIInChI=1S/C8H10O.C2H7N/c1-3-5-8(4-2)6-7-9;1-3-2/h3-5,7H,1-2,6H2;3H,1-2H3/b8-5+;
InChIKeyNXRYQXZGTHEEGT-HAAWTFQLSA-N
MW167.25 g/mol
LogP1.71
Rot. Bonds4

About (3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine

(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine (PubChem CID 143006742) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine.

Molecular Properties

Compound Name(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine
PubChem CID143006742
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine
SMILESC=C/C=C(\C=C)CC=O.CNC
InChIInChI=1S/C8H10O.C2H7N/c1-3-5-8(4-2)6-7-9;1-3-2/h3-5,7H,1-2,6H2;3H,1-2H3/b8-5+;
InChIKeyNXRYQXZGTHEEGT-HAAWTFQLSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3Z,5E)-3-ethenyl-5-methoxyhepta-3,5-dienal
CID 144711448
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
(3Z)-3-[(E)-1-(methylamino)but-2-en-2-yl]hexa-3,5-dienal
CID 142384554
N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide
CID 156731692
2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide
CID 142133162
ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal
CID 143775554
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(2E)-2-ethylpenta-2,4-dienal
CID 88543271
(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide
CID 144506280
(3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide
CID 143768607

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine?
The IUPAC name of (3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine (CID 143006742) is (3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine.
What is the SMILES notation for (3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine?
The canonical SMILES for (3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine is C=C/C=C(\C=C)CC=O.CNC.
What is the InChIKey of (3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine?
The InChIKey is NXRYQXZGTHEEGT-HAAWTFQLSA-N. The full InChI is InChI=1S/C8H10O.C2H7N/c1-3-5-8(4-2)6-7-9;1-3-2/h3-5,7H,1-2,6H2;3H,1-2H3/b8-5+;.
What are the key properties of (3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine?
(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine is sourced from PubChem (CID 143006742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).