5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine

C15H29NO — CID 163694903

IUPAC5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine
SMILESC=CC(=C)CCC(C)NCC(C)OCC(C)C
InChIInChI=1S/C15H29NO/c1-7-13(4)8-9-14(5)16-10-15(6)17-11-12(2)3/h7,12,14-16H,1,4,8-11H2,2-3,5-6H3
InChIKeyJWDHMOWZWWERJX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.55
Rot. Bonds10

About 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine

5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine (PubChem CID 163694903) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine.

Molecular Properties

Compound Name5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine
PubChem CID163694903
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine
SMILESC=CC(=C)CCC(C)NCC(C)OCC(C)C
InChIInChI=1S/C15H29NO/c1-7-13(4)8-9-14(5)16-10-15(6)17-11-12(2)3/h7,12,14-16H,1,4,8-11H2,2-3,5-6H3
InChIKeyJWDHMOWZWWERJX-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine?
The IUPAC name of 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine (CID 163694903) is 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine.
What is the SMILES notation for 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine?
The canonical SMILES for 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine is C=CC(=C)CCC(C)NCC(C)OCC(C)C.
What is the InChIKey of 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine?
The InChIKey is JWDHMOWZWWERJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-13(4)8-9-14(5)16-10-15(6)17-11-12(2)3/h7,12,14-16H,1,4,8-11H2,2-3,5-6H3.
What are the key properties of 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine?
5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-N-[2-(2-methylpropoxy)propyl]hept-6-en-2-amine is sourced from PubChem (CID 163694903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).