3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene

C16H25N — CID 5319970

IUPAC3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
SMILESCC1CCCCCCCCc2cccc(n2)C1
InChIInChI=1S/C16H25N/c1-14-9-6-4-2-3-5-7-10-15-11-8-12-16(13-14)17-15/h8,11-12,14H,2-7,9-10,13H2,1H3
InChIKeyIMNKABOILQOFDL-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.55
Rot. Bonds

About 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene

3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene (PubChem CID 5319970) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene.

Molecular Properties

Compound Name3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
PubChem CID5319970
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
SMILESCC1CCCCCCCCc2cccc(n2)C1
InChIInChI=1S/C16H25N/c1-14-9-6-4-2-3-5-7-10-15-11-8-12-16(13-14)17-15/h8,11-12,14H,2-7,9-10,13H2,1H3
InChIKeyIMNKABOILQOFDL-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Mpep
CID 3025961
2-Isobutylpyridine
CID 61385
Sib 1893
CID 5311432
2-Isopropylpyridine
CID 69523
2,3,6-Trimethylpyridine
CID 15100
2-Ethyl-5-methylpyridine
CID 519519
6,6'-Bi-2-picoline
CID 20445
2-Isobutylquinoline
CID 7130

Frequently Asked Questions

What is the IUPAC name of 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene?
The IUPAC name of 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene (CID 5319970) is 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene.
What is the SMILES notation for 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene?
The canonical SMILES for 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene is CC1CCCCCCCCc2cccc(n2)C1.
What is the InChIKey of 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene?
The InChIKey is IMNKABOILQOFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-14-9-6-4-2-3-5-7-10-15-11-8-12-16(13-14)17-15/h8,11-12,14H,2-7,9-10,13H2,1H3.
What are the key properties of 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene?
3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene has a molecular weight of 231.38 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene is sourced from PubChem (CID 5319970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).