2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile

C14H26N2 — CID 79358554

IUPAC2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile
SMILESCC(C)(C#N)CCCNC1C(C)(C)C1(C)C
InChIInChI=1S/C14H26N2/c1-12(2,10-15)8-7-9-16-11-13(3,4)14(11,5)6/h11,16H,7-9H2,1-6H3
InChIKeyIZUYYCSYGHBRRV-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.34
Rot. Bonds5

About 2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile

2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile (PubChem CID 79358554) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile
PubChem CID79358554
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile
SMILESCC(C)(C#N)CCCNC1C(C)(C)C1(C)C
InChIInChI=1S/C14H26N2/c1-12(2,10-15)8-7-9-16-11-13(3,4)14(11,5)6/h11,16H,7-9H2,1-6H3
InChIKeyIZUYYCSYGHBRRV-UHFFFAOYSA-N
XLogP3.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile (CID 79358554) is 2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile is CC(C)(C#N)CCCNC1C(C)(C)C1(C)C.
What is the InChIKey of 2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile?
The InChIKey is IZUYYCSYGHBRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12(2,10-15)8-7-9-16-11-13(3,4)14(11,5)6/h11,16H,7-9H2,1-6H3.
What are the key properties of 2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile?
2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pentanenitrile is sourced from PubChem (CID 79358554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).