(2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine

C14H25N — CID 10987473

IUPAC(2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine
SMILESC=CC[C@H]1CC=C[C@H](CCCCCC)N1
InChIInChI=1S/C14H25N/c1-3-5-6-7-10-14-12-8-11-13(15-14)9-4-2/h4,8,12-15H,2-3,5-7,9-11H2,1H3/t13-,14-/m0/s1
InChIKeyYQIAHXZAMPEKSU-KBPBESRZSA-N
MW207.36 g/mol
LogP3.82
Rot. Bonds7

About (2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine

(2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine (PubChem CID 10987473) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine
PubChem CID10987473
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine
SMILESC=CC[C@H]1CC=C[C@H](CCCCCC)N1
InChIInChI=1S/C14H25N/c1-3-5-6-7-10-14-12-8-11-13(15-14)9-4-2/h4,8,12-15H,2-3,5-7,9-11H2,1H3/t13-,14-/m0/s1
InChIKeyYQIAHXZAMPEKSU-KBPBESRZSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine (CID 10987473) is (2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine is C=CC[C@H]1CC=C[C@H](CCCCCC)N1.
What is the InChIKey of (2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The InChIKey is YQIAHXZAMPEKSU-KBPBESRZSA-N. The full InChI is InChI=1S/C14H25N/c1-3-5-6-7-10-14-12-8-11-13(15-14)9-4-2/h4,8,12-15H,2-3,5-7,9-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
(2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine has a molecular weight of 207.36 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-hexyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 10987473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).