2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile

C13H18N2 — CID 115130881

IUPAC2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile
SMILESCc1ccc(C(C)C)cc1N(C)CC#N
InChIInChI=1S/C13H18N2/c1-10(2)12-6-5-11(3)13(9-12)15(4)8-7-14/h5-6,9-10H,8H2,1-4H3
InChIKeyIFJTVBAHCPZOHY-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.08
Rot. Bonds3

About 2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile

2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile (PubChem CID 115130881) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile.

Molecular Properties

Compound Name2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile
PubChem CID115130881
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile
SMILESCc1ccc(C(C)C)cc1N(C)CC#N
InChIInChI=1S/C13H18N2/c1-10(2)12-6-5-11(3)13(9-12)15(4)8-7-14/h5-6,9-10H,8H2,1-4H3
InChIKeyIFJTVBAHCPZOHY-UHFFFAOYSA-N
XLogP3.08
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl-(2-methyl-5-propan-2-ylphenyl)cyanamide
CID 117043228
N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol
CID 115243384
1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205259
N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 115206884
2-(3-chloro-N,4-dimethylanilino)acetonitrile
CID 82112115
2-chloro-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)acetamide
CID 115161925
N,2-dimethyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylaniline
CID 115237568
ethane;2-methyl-5-propan-2-ylbenzonitrile
CID 177048895
3-amino-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115154101
N-methyl-N-(2-methyl-5-propan-2-ylphenyl)-4-oxopentanamide
CID 115176806
3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583

Frequently Asked Questions

What is the IUPAC name of 2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile?
The IUPAC name of 2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile (CID 115130881) is 2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile.
What is the SMILES notation for 2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile?
The canonical SMILES for 2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile is Cc1ccc(C(C)C)cc1N(C)CC#N.
What is the InChIKey of 2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile?
The InChIKey is IFJTVBAHCPZOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(2)12-6-5-11(3)13(9-12)15(4)8-7-14/h5-6,9-10H,8H2,1-4H3.
What are the key properties of 2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile?
2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile has a molecular weight of 202.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile is sourced from PubChem (CID 115130881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).