ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane

C13H27N — CID 177009411

IUPACethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane
SMILESCC.CC(C)CCC12CC(C1)N(C)C2
InChIInChI=1S/C11H21N.C2H6/c1-9(2)4-5-11-6-10(7-11)12(3)8-11;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyUYKJDCSLRLLBEG-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds3

About ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane

ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane (PubChem CID 177009411) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Nameethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane
PubChem CID177009411
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nameethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane
SMILESCC.CC(C)CCC12CC(C1)N(C)C2
InChIInChI=1S/C11H21N.C2H6/c1-9(2)4-5-11-6-10(7-11)12(3)8-11;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyUYKJDCSLRLLBEG-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane 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

(2-methyl-2-azabicyclo[2.1.1]hexan-4-yl)methanol
CID 177009446
1-(3-methylbutyl)-3-propan-2-ylbicyclo[3.3.1]nonane
CID 158792530
2-methyl-2-(3-methylbutyl)cyclopropan-1-amine
CID 62389533
1-(3-methylbutyl)-2-propan-2-ylcyclopropan-1-amine
CID 84653595
2,5,5-triethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64860265
1-[1-(3-methylbutyl)cyclopropyl]ethanol
CID 106798094
2-cyclopropyl-5,5-diethyl-1-(3-methylbutyl)piperazine
CID 64861980
2,4-diethyl-2,4-bis(3-methylbutyl)cyclobutane-1,3-diol
CID 71225455
3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol
CID 106823575
1,3-dimethyl-1-(3-methylbutyl)cyclopentane
CID 91534929
6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 178037636
ethane;2-methylpentane
CID 143713716

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane?
The IUPAC name of ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane (CID 177009411) is ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane is CC.CC(C)CCC12CC(C1)N(C)C2.
What is the InChIKey of ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane?
The InChIKey is UYKJDCSLRLLBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-9(2)4-5-11-6-10(7-11)12(3)8-11;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane?
ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane has a molecular weight of 197.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(3-methylbutyl)-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 177009411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).