N-tert-butyl-2-methylbutan-2-amine;ethane

C11H27N — CID 142129044

IUPACN-tert-butyl-2-methylbutan-2-amine;ethane
SMILESCC.CCC(C)(C)NC(C)(C)C
InChIInChI=1S/C9H21N.C2H6/c1-7-9(5,6)10-8(2,3)4;1-2/h10H,7H2,1-6H3;1-2H3
InChIKeyJSLIPDWFHQRNNW-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.59
Rot. Bonds2

About N-tert-butyl-2-methylbutan-2-amine;ethane

N-tert-butyl-2-methylbutan-2-amine;ethane (PubChem CID 142129044) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is N-tert-butyl-2-methylbutan-2-amine;ethane.

Molecular Properties

Compound NameN-tert-butyl-2-methylbutan-2-amine;ethane
PubChem CID142129044
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC NameN-tert-butyl-2-methylbutan-2-amine;ethane
SMILESCC.CCC(C)(C)NC(C)(C)C
InChIInChI=1S/C9H21N.C2H6/c1-7-9(5,6)10-8(2,3)4;1-2/h10H,7H2,1-6H3;1-2H3
InChIKeyJSLIPDWFHQRNNW-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-2-methylbutan-2-amine;ethane 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

N-(1,1-Dimethylethyl)-2-methyl-2-propanamine
CID 30889
N-tert-Amyl-1,1-dimethylpropargylamine
CID 547435
tert-Amyl-tert-butylamine
CID 16391
Di-tert-amylamine
CID 4456488
2-Butanamine, N-(1,1-dimethylethyl)-2-methyl-, hydrochloride
CID 16390
3-methyl-N-(2-methylbut-3-yn-2-yl)pent-1-yn-3-amine
CID 12618962
Di-tert-butylamine Hydrochloride
CID 12507332
3-methyl-N-(2-methylbutan-2-yl)pentan-3-amine
CID 12618974
3-methyl-N-(3-methylpentan-3-yl)pentan-3-amine
CID 12618976
3-ethyl-N-(3-ethylpentan-3-yl)pentan-3-amine
CID 12618980
N-tert-butyl-3-ethylpentan-3-amine
CID 14661527
N-(2,3-dimethylbutan-2-yl)-2,3-dimethylbutan-2-amine
CID 22149161

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylbutan-2-amine;ethane?
The IUPAC name of N-tert-butyl-2-methylbutan-2-amine;ethane (CID 142129044) is N-tert-butyl-2-methylbutan-2-amine;ethane.
What is the SMILES notation for N-tert-butyl-2-methylbutan-2-amine;ethane?
The canonical SMILES for N-tert-butyl-2-methylbutan-2-amine;ethane is CC.CCC(C)(C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylbutan-2-amine;ethane?
The InChIKey is JSLIPDWFHQRNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-7-9(5,6)10-8(2,3)4;1-2/h10H,7H2,1-6H3;1-2H3.
What are the key properties of N-tert-butyl-2-methylbutan-2-amine;ethane?
N-tert-butyl-2-methylbutan-2-amine;ethane has a molecular weight of 173.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylbutan-2-amine;ethane is sourced from PubChem (CID 142129044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).