2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile

C15H24N2S — CID 80526708

IUPAC2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile
SMILESCC(C)(C#N)CCCNCC(C)(C)c1cccs1
InChIInChI=1S/C15H24N2S/c1-14(2,11-16)8-6-9-17-12-15(3,4)13-7-5-10-18-13/h5,7,10,17H,6,8-9,12H2,1-4H3
InChIKeyKLQZOUWADHJFGZ-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.95
Rot. Bonds7

About 2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile

2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile (PubChem CID 80526708) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile
PubChem CID80526708
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile
SMILESCC(C)(C#N)CCCNCC(C)(C)c1cccs1
InChIInChI=1S/C15H24N2S/c1-14(2,11-16)8-6-9-17-12-15(3,4)13-7-5-10-18-13/h5,7,10,17H,6,8-9,12H2,1-4H3
InChIKeyKLQZOUWADHJFGZ-UHFFFAOYSA-N
XLogP3.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526663
2-methyl-N-(3-phenoxypropyl)-2-thiophen-2-ylpropan-1-amine
CID 80526261
2,2-dimethyl-4-(2-thiophen-2-ylethylamino)butanenitrile
CID 65248968
2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
CID 80526849
4-[1-hydroxy-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 80526804
5-[(4-hydroxyphenyl)methylamino]-2,2-dimethylpentanenitrile
CID 114331783
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526694
3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-propan-2-ylpropanamide
CID 80526828
5-anilino-2,2-dimethylpentanenitrile
CID 65256464
2,2-dimethyl-3-(thiophen-2-ylamino)propanenitrile
CID 115233744
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile (CID 80526708) is 2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile is CC(C)(C#N)CCCNCC(C)(C)c1cccs1.
What is the InChIKey of 2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile?
The InChIKey is KLQZOUWADHJFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-14(2,11-16)8-6-9-17-12-15(3,4)13-7-5-10-18-13/h5,7,10,17H,6,8-9,12H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile?
2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile has a molecular weight of 264.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile is sourced from PubChem (CID 80526708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).