(3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine

C16H27N — CID 142019083

IUPAC(3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine
SMILESC=C/C=C1\C(=C)CCN(C)C1CCCCCC
InChIInChI=1S/C16H27N/c1-5-7-8-9-11-16-15(10-6-2)14(3)12-13-17(16)4/h6,10,16H,2-3,5,7-9,11-13H2,1,4H3/b15-10+
InChIKeyXDLHMVWFGPRWBV-XNTDXEJSSA-N
MW233.40 g/mol
LogP4.33
Rot. Bonds6

About (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine

(3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine (PubChem CID 142019083) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine.

Molecular Properties

Compound Name(3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine
PubChem CID142019083
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine
SMILESC=C/C=C1\C(=C)CCN(C)C1CCCCCC
InChIInChI=1S/C16H27N/c1-5-7-8-9-11-16-15(10-6-2)14(3)12-13-17(16)4/h6,10,16H,2-3,5,7-9,11-13H2,1,4H3/b15-10+
InChIKeyXDLHMVWFGPRWBV-XNTDXEJSSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine 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 (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine?
The IUPAC name of (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine (CID 142019083) is (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine.
What is the SMILES notation for (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine?
The canonical SMILES for (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine is C=C/C=C1\C(=C)CCN(C)C1CCCCCC.
What is the InChIKey of (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine?
The InChIKey is XDLHMVWFGPRWBV-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-8-9-11-16-15(10-6-2)14(3)12-13-17(16)4/h6,10,16H,2-3,5,7-9,11-13H2,1,4H3/b15-10+.
What are the key properties of (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine?
(3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine has a molecular weight of 233.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-hexyl-1-methyl-4-methylidene-3-prop-2-enylidenepiperidine is sourced from PubChem (CID 142019083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).