3-hepta-2,4-dienylimino-N-methylpentan-1-amine

C13H24N2 — CID 123804230

IUPAC3-hepta-2,4-dienylimino-N-methylpentan-1-amine
SMILESCCC=CC=CC/N=C(\CC)CCNC
InChIInChI=1S/C13H24N2/c1-4-6-7-8-9-11-15-13(5-2)10-12-14-3/h6-9,14H,4-5,10-12H2,1-3H3/b7-6?,9-8?,15-13+
InChIKeySQRPSQHHCFRVBW-VUNKPPDRSA-N
MW208.35 g/mol
LogP2.97
Rot. Bonds8

About 3-hepta-2,4-dienylimino-N-methylpentan-1-amine

3-hepta-2,4-dienylimino-N-methylpentan-1-amine (PubChem CID 123804230) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-hepta-2,4-dienylimino-N-methylpentan-1-amine.

Molecular Properties

Compound Name3-hepta-2,4-dienylimino-N-methylpentan-1-amine
PubChem CID123804230
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-hepta-2,4-dienylimino-N-methylpentan-1-amine
SMILESCCC=CC=CC/N=C(\CC)CCNC
InChIInChI=1S/C13H24N2/c1-4-6-7-8-9-11-15-13(5-2)10-12-14-3/h6-9,14H,4-5,10-12H2,1-3H3/b7-6?,9-8?,15-13+
InChIKeySQRPSQHHCFRVBW-VUNKPPDRSA-N
XLogP2.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hepta-2,4-dienylimino-N-methylpentan-1-amine?
The IUPAC name of 3-hepta-2,4-dienylimino-N-methylpentan-1-amine (CID 123804230) is 3-hepta-2,4-dienylimino-N-methylpentan-1-amine.
What is the SMILES notation for 3-hepta-2,4-dienylimino-N-methylpentan-1-amine?
The canonical SMILES for 3-hepta-2,4-dienylimino-N-methylpentan-1-amine is CCC=CC=CC/N=C(\CC)CCNC.
What is the InChIKey of 3-hepta-2,4-dienylimino-N-methylpentan-1-amine?
The InChIKey is SQRPSQHHCFRVBW-VUNKPPDRSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-6-7-8-9-11-15-13(5-2)10-12-14-3/h6-9,14H,4-5,10-12H2,1-3H3/b7-6?,9-8?,15-13+.
What are the key properties of 3-hepta-2,4-dienylimino-N-methylpentan-1-amine?
3-hepta-2,4-dienylimino-N-methylpentan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hepta-2,4-dienylimino-N-methylpentan-1-amine is sourced from PubChem (CID 123804230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).