(5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene

C14H25N — CID 175755256

IUPAC(5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene
SMILESCCCCCCC1=C2CC[C@@H](CC1)N2C
InChIInChI=1S/C14H25N/c1-3-4-5-6-7-12-8-9-13-10-11-14(12)15(13)2/h13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyIGLFLZQLDSJEPH-CYBMUJFWSA-N
MW207.36 g/mol
LogP4.10
Rot. Bonds5

About (5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene

(5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene (PubChem CID 175755256) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene.

Molecular Properties

Compound Name(5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene
PubChem CID175755256
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene
SMILESCCCCCCC1=C2CC[C@@H](CC1)N2C
InChIInChI=1S/C14H25N/c1-3-4-5-6-7-12-8-9-13-10-11-14(12)15(13)2/h13H,3-11H2,1-2H3/t13-/m1/s1
InChIKeyIGLFLZQLDSJEPH-CYBMUJFWSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene?
The IUPAC name of (5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene (CID 175755256) is (5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene.
What is the SMILES notation for (5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene?
The canonical SMILES for (5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene is CCCCCCC1=C2CC[C@@H](CC1)N2C.
What is the InChIKey of (5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene?
The InChIKey is IGLFLZQLDSJEPH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25N/c1-3-4-5-6-7-12-8-9-13-10-11-14(12)15(13)2/h13H,3-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene?
(5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene has a molecular weight of 207.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-hexyl-8-methyl-8-azabicyclo[3.2.1]oct-1-ene is sourced from PubChem (CID 175755256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).