5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane

C23H45N — CID 166865899

IUPAC5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane
SMILESCCC(C)CC12CCCCC(C1)NCCC(C)CCCC(C)C2C
InChIInChI=1S/C23H45N/c1-6-18(2)16-23-14-8-7-12-22(17-23)24-15-13-19(3)10-9-11-20(4)21(23)5/h18-22,24H,6-17H2,1-5H3
InChIKeyGLMQRFGFUKUSIQ-UHFFFAOYSA-N
MW335.62 g/mol
LogP6.81
Rot. Bonds3

About 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane

5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane (PubChem CID 166865899) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane.

Molecular Properties

Compound Name5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane
PubChem CID166865899
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC Name5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane
SMILESCCC(C)CC12CCCCC(C1)NCCC(C)CCCC(C)C2C
InChIInChI=1S/C23H45N/c1-6-18(2)16-23-14-8-7-12-22(17-23)24-15-13-19(3)10-9-11-20(4)21(23)5/h18-22,24H,6-17H2,1-5H3
InChIKeyGLMQRFGFUKUSIQ-UHFFFAOYSA-N
XLogP6.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-N2-(cycloheptylmethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482174
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
amine S-24
CID 19985237
N'-[(4-aminocycloheptyl)methyl]-N-ethylpropane-1,3-diamine
CID 44288500
N'-[3-(cycloheptylmethylamino)propyl]-N-ethylpropane-1,3-diamine
CID 44321383
1-(Propan-2-yl)-2-azaspiro(3.6)decane
CID 126970883
N'-[[(1R,4S)-4-aminocycloheptyl]methyl]-N-ethyl-propane-1,3-diamine
CID 487178
11-[(Cycloheptyl)methyl]-4,8-diazaundecane
CID 91402208
N-(2,3-dipropylheptyl)tridecan-1-amine
CID 109427
N-butyl-6,7,10,11-tetramethyldodecan-4-amine
CID 20520383
N-butyl-2-methylundecan-3-amine
CID 54414927
1-(10-fluoro-2,4,5-trimethyl-12-propylcyclododecyl)-N-methylethanamine
CID 123371486

Frequently Asked Questions

What is the IUPAC name of 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane?
The IUPAC name of 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane (CID 166865899) is 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane.
What is the SMILES notation for 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane?
The canonical SMILES for 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane is CCC(C)CC12CCCCC(C1)NCCC(C)CCCC(C)C2C.
What is the InChIKey of 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane?
The InChIKey is GLMQRFGFUKUSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N/c1-6-18(2)16-23-14-8-7-12-22(17-23)24-15-13-19(3)10-9-11-20(4)21(23)5/h18-22,24H,6-17H2,1-5H3.
What are the key properties of 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane?
5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane has a molecular weight of 335.62 g/mol, XLogP of 6.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,10-trimethyl-11-(2-methylbutyl)-2-azabicyclo[9.4.1]hexadecane is sourced from PubChem (CID 166865899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).