5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal

C17H30N2O — CID 174341871

IUPAC5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal
SMILESC=CC(C)(C=CCC=O)NCCC(=CC)N(C)CCC
InChIInChI=1S/C17H30N2O/c1-6-14-19(5)16(7-2)11-13-18-17(4,8-3)12-9-10-15-20/h7-9,12,15,18H,3,6,10-11,13-14H2,1-2,4-5H3
InChIKeyXWRDKWIWGLSTHR-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.30
Rot. Bonds11

About 5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal

5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal (PubChem CID 174341871) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal.

Molecular Properties

Compound Name5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal
PubChem CID174341871
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal
SMILESC=CC(C)(C=CCC=O)NCCC(=CC)N(C)CCC
InChIInChI=1S/C17H30N2O/c1-6-14-19(5)16(7-2)11-13-18-17(4,8-3)12-9-10-15-20/h7-9,12,15,18H,3,6,10-11,13-14H2,1-2,4-5H3
InChIKeyXWRDKWIWGLSTHR-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal?
The IUPAC name of 5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal (CID 174341871) is 5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal.
What is the SMILES notation for 5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal?
The canonical SMILES for 5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal is C=CC(C)(C=CCC=O)NCCC(=CC)N(C)CCC.
What is the InChIKey of 5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal?
The InChIKey is XWRDKWIWGLSTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-14-19(5)16(7-2)11-13-18-17(4,8-3)12-9-10-15-20/h7-9,12,15,18H,3,6,10-11,13-14H2,1-2,4-5H3.
What are the key properties of 5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal?
5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal has a molecular weight of 278.44 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[3-[methyl(propyl)amino]pent-3-enylamino]hepta-3,6-dienal is sourced from PubChem (CID 174341871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).