(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene

C18H31N — CID 70966118

IUPAC(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
SMILESCC1CCCCCCC[C@H](C)C2CC=CC(=N2)C1C
InChIInChI=1S/C18H31N/c1-14-10-7-5-4-6-8-11-15(2)17-12-9-13-18(19-17)16(14)3/h9,13-17H,4-8,10-12H2,1-3H3/t14?,15-,16?,17?/m0/s1
InChIKeyLHPGIPWJXFNHKH-YSURMTKTSA-N
MW261.45 g/mol
LogP5.41
Rot. Bonds

About (11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene

(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene (PubChem CID 70966118) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene.

Molecular Properties

Compound Name(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
PubChem CID70966118
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
SMILESCC1CCCCCCC[C@H](C)C2CC=CC(=N2)C1C
InChIInChI=1S/C18H31N/c1-14-10-7-5-4-6-8-11-15(2)17-12-9-13-18(19-17)16(14)3/h9,13-17H,4-8,10-12H2,1-3H3/t14?,15-,16?,17?/m0/s1
InChIKeyLHPGIPWJXFNHKH-YSURMTKTSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene?
The IUPAC name of (11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene (CID 70966118) is (11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene.
What is the SMILES notation for (11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene?
The canonical SMILES for (11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene is CC1CCCCCCC[C@H](C)C2CC=CC(=N2)C1C.
What is the InChIKey of (11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene?
The InChIKey is LHPGIPWJXFNHKH-YSURMTKTSA-N. The full InChI is InChI=1S/C18H31N/c1-14-10-7-5-4-6-8-11-15(2)17-12-9-13-18(19-17)16(14)3/h9,13-17H,4-8,10-12H2,1-3H3/t14?,15-,16?,17?/m0/s1.
What are the key properties of (11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene?
(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene has a molecular weight of 261.45 g/mol, XLogP of 5.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene is sourced from PubChem (CID 70966118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).