2-(2,2,3,3-tetramethylbutylamino)acetonitrile

C10H20N2 — CID 115131458

IUPAC2-(2,2,3,3-tetramethylbutylamino)acetonitrile
SMILESCC(C)(C)C(C)(C)CNCC#N
InChIInChI=1S/C10H20N2/c1-9(2,3)10(4,5)8-12-7-6-11/h12H,7-8H2,1-5H3
InChIKeyFOAYOFXMDUSOHE-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.17
Rot. Bonds3

About 2-(2,2,3,3-tetramethylbutylamino)acetonitrile

2-(2,2,3,3-tetramethylbutylamino)acetonitrile (PubChem CID 115131458) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2,2,3,3-tetramethylbutylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,2,3,3-tetramethylbutylamino)acetonitrile
PubChem CID115131458
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(2,2,3,3-tetramethylbutylamino)acetonitrile
SMILESCC(C)(C)C(C)(C)CNCC#N
InChIInChI=1S/C10H20N2/c1-9(2,3)10(4,5)8-12-7-6-11/h12H,7-8H2,1-5H3
InChIKeyFOAYOFXMDUSOHE-UHFFFAOYSA-N
XLogP2.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N'-(2,2,3,3-tetramethylbutyl)methanediamine
CID 115226324
(2,2,3,3-tetramethylbutylamino)methanethiol
CID 115228509
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054
N-(2-chloroethyl)-2,2,3,3-tetramethylbutan-1-amine
CID 115215261
2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
CID 138647776
2,2-dimethyl-3-(2,2,3,3-tetramethylbutylamino)propan-1-ol
CID 115135569
2,2,3,3-tetramethylbutylhydrazine
CID 130727218
2-(aminomethylamino)acetonitrile
CID 54405021
1-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropan-1-amine
CID 115257108
2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]acetonitrile
CID 115131576
2-[[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131487
2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
CID 115198913

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetramethylbutylamino)acetonitrile?
The IUPAC name of 2-(2,2,3,3-tetramethylbutylamino)acetonitrile (CID 115131458) is 2-(2,2,3,3-tetramethylbutylamino)acetonitrile.
What is the SMILES notation for 2-(2,2,3,3-tetramethylbutylamino)acetonitrile?
The canonical SMILES for 2-(2,2,3,3-tetramethylbutylamino)acetonitrile is CC(C)(C)C(C)(C)CNCC#N.
What is the InChIKey of 2-(2,2,3,3-tetramethylbutylamino)acetonitrile?
The InChIKey is FOAYOFXMDUSOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2,3)10(4,5)8-12-7-6-11/h12H,7-8H2,1-5H3.
What are the key properties of 2-(2,2,3,3-tetramethylbutylamino)acetonitrile?
2-(2,2,3,3-tetramethylbutylamino)acetonitrile has a molecular weight of 168.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetramethylbutylamino)acetonitrile is sourced from PubChem (CID 115131458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).