2-(tert-butylamino)-3-methylbutanenitrile

C9H18N2 — CID 13492427

IUPAC2-(tert-butylamino)-3-methylbutanenitrile
SMILESCC(C)C(C#N)NC(C)(C)C
InChIInChI=1S/C9H18N2/c1-7(2)8(6-10)11-9(3,4)5/h7-8,11H,1-5H3
InChIKeyBKSRZOYPEWPNCH-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.92
Rot. Bonds2

About 2-(tert-butylamino)-3-methylbutanenitrile

2-(tert-butylamino)-3-methylbutanenitrile (PubChem CID 13492427) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(tert-butylamino)-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-3-methylbutanenitrile
PubChem CID13492427
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(tert-butylamino)-3-methylbutanenitrile
SMILESCC(C)C(C#N)NC(C)(C)C
InChIInChI=1S/C9H18N2/c1-7(2)8(6-10)11-9(3,4)5/h7-8,11H,1-5H3
InChIKeyBKSRZOYPEWPNCH-UHFFFAOYSA-N
XLogP1.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N'-ditert-butylethane-1,1-diamine
CID 23031273
1-(tert-butylamino)-2-methylpropan-1-ol
CID 23232997
(2S)-2-(tert-butylamino)propanamide
CID 122595245
2-(tert-butylamino)-4-methylpentan-3-one
CID 134376563
N-tert-butyl-2,2,4,4-tetramethylpentan-3-amine
CID 84669079
N-(1-cyano-2-methylpropyl)-2,2-difluoroacetamide
CID 103513773
N-(1-cyano-2-methylpropyl)-2-methylbutanamide
CID 63928753
tert-butyl 3-[(1-cyano-2-methylpropyl)amino]azetidine-1-carboxylate
CID 121209947
1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine
CID 154626128
3-aminosulfanyl-2,3-dimethylbutanenitrile
CID 174965990
3-methyl-2-(2-methylhex-5-en-3-ylamino)butanenitrile
CID 11564635
2-(2,6-difluoroanilino)-3-methylbutanenitrile
CID 82126738

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-3-methylbutanenitrile?
The IUPAC name of 2-(tert-butylamino)-3-methylbutanenitrile (CID 13492427) is 2-(tert-butylamino)-3-methylbutanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-3-methylbutanenitrile?
The canonical SMILES for 2-(tert-butylamino)-3-methylbutanenitrile is CC(C)C(C#N)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-3-methylbutanenitrile?
The InChIKey is BKSRZOYPEWPNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)8(6-10)11-9(3,4)5/h7-8,11H,1-5H3.
What are the key properties of 2-(tert-butylamino)-3-methylbutanenitrile?
2-(tert-butylamino)-3-methylbutanenitrile has a molecular weight of 154.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3-methylbutanenitrile is sourced from PubChem (CID 13492427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).