N-(1,1-Dimethylethyl)-2-methyl-2-propanamine

C8H19N — CID 30889

IUPACN-tert-butyl-2-methylpropan-2-amine
SMILESCC(C)(C)NC(C)(C)C
InChIInChI=1S/C8H19N/c1-7(2,3)9-8(4,5)6/h9H,1-6H3
InChIKeyCATWEXRJGNBIJD-UHFFFAOYSA-N
MW129.24 g/mol
LogP1.80
Rot. Bonds2

About N-(1,1-Dimethylethyl)-2-methyl-2-propanamine

N-(1,1-Dimethylethyl)-2-methyl-2-propanamine (PubChem CID 30889) has the molecular formula C8H19N and a molecular weight of 129.24 g/mol. Its IUPAC name is N-tert-butyl-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(1,1-Dimethylethyl)-2-methyl-2-propanamine
PubChem CID30889
Molecular FormulaC8H19N
Molecular Weight129.24 g/mol
Exact Mass129.15
IUPAC NameN-tert-butyl-2-methylpropan-2-amine
SMILESCC(C)(C)NC(C)(C)C
InChIInChI=1S/C8H19N/c1-7(2,3)9-8(4,5)6/h9H,1-6H3
InChIKeyCATWEXRJGNBIJD-UHFFFAOYSA-N
XLogP1.80
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity69

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tert-Amyl-tert-butylamine
CID 16391
Di-tert-amylamine
CID 4456488
2-Butanamine, N-(1,1-dimethylethyl)-2-methyl-, hydrochloride
CID 16390
N-tert-Butyl-1,1-dimethylpropargylamine
CID 70920
Bis(t-butylamino)acetylene
CID 6396780
Di-t-butyl amine oxide
CID 19593598
N-tert-butyl-1,1,1-trifluoro-2-methylpropan-2-amine
CID 59551553
N-(2-fluoropropan-2-yl)-2-methylpropan-2-amine
CID 170398047
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

Frequently Asked Questions

What is the IUPAC name of N-(1,1-Dimethylethyl)-2-methyl-2-propanamine?
The IUPAC name of N-(1,1-Dimethylethyl)-2-methyl-2-propanamine (CID 30889) is N-tert-butyl-2-methylpropan-2-amine.
What is the SMILES notation for N-(1,1-Dimethylethyl)-2-methyl-2-propanamine?
The canonical SMILES for N-(1,1-Dimethylethyl)-2-methyl-2-propanamine is CC(C)(C)NC(C)(C)C.
What is the InChIKey of N-(1,1-Dimethylethyl)-2-methyl-2-propanamine?
The InChIKey is CATWEXRJGNBIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-7(2,3)9-8(4,5)6/h9H,1-6H3.
What are the key properties of N-(1,1-Dimethylethyl)-2-methyl-2-propanamine?
N-(1,1-Dimethylethyl)-2-methyl-2-propanamine has a molecular weight of 129.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-Dimethylethyl)-2-methyl-2-propanamine is sourced from PubChem (CID 30889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).