(7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal

C20H37NO — CID 174095582

IUPAC(7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal
SMILESC/C(=C/C=C\CCCCCC=O)CC(C)CCN(C)C(C)C
InChIInChI=1S/C20H37NO/c1-18(2)21(5)15-14-20(4)17-19(3)13-11-9-7-6-8-10-12-16-22/h9,11,13,16,18,20H,6-8,10,12,14-15,17H2,1-5H3/b11-9-,19-13-
InChIKeyITGKZYKTSIQWLM-NHJGUPFESA-N
MW307.52 g/mol
LogP5.39
Rot. Bonds13

About (7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal

(7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal (PubChem CID 174095582) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal.

Molecular Properties

Compound Name(7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal
PubChem CID174095582
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal
SMILESC/C(=C/C=C\CCCCCC=O)CC(C)CCN(C)C(C)C
InChIInChI=1S/C20H37NO/c1-18(2)21(5)15-14-20(4)17-19(3)13-11-9-7-6-8-10-12-16-22/h9,11,13,16,18,20H,6-8,10,12,14-15,17H2,1-5H3/b11-9-,19-13-
InChIKeyITGKZYKTSIQWLM-NHJGUPFESA-N
XLogP5.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal?
The IUPAC name of (7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal (CID 174095582) is (7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal.
What is the SMILES notation for (7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal?
The canonical SMILES for (7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal is C/C(=C/C=C\CCCCCC=O)CC(C)CCN(C)C(C)C.
What is the InChIKey of (7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal?
The InChIKey is ITGKZYKTSIQWLM-NHJGUPFESA-N. The full InChI is InChI=1S/C20H37NO/c1-18(2)21(5)15-14-20(4)17-19(3)13-11-9-7-6-8-10-12-16-22/h9,11,13,16,18,20H,6-8,10,12,14-15,17H2,1-5H3/b11-9-,19-13-.
What are the key properties of (7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal?
(7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal has a molecular weight of 307.52 g/mol, XLogP of 5.39, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal is sourced from PubChem (CID 174095582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).