6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile

C13H24N2 — CID 106709405

IUPAC6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCNCCC1CC1
InChIInChI=1S/C13H24N2/c1-13(2,11-14)8-3-4-9-15-10-7-12-5-6-12/h12,15H,3-10H2,1-2H3
InChIKeyAZYWTNJBIAQSPI-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.10
Rot. Bonds8

About 6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile

6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile (PubChem CID 106709405) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
PubChem CID106709405
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCNCCC1CC1
InChIInChI=1S/C13H24N2/c1-13(2,11-14)8-3-4-9-15-10-7-12-5-6-12/h12,15H,3-10H2,1-2H3
InChIKeyAZYWTNJBIAQSPI-UHFFFAOYSA-N
XLogP3.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.10
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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Related Compounds

2,2-dimethyl-6-[2-(3-methylcyclohexyl)ethylamino]hexanenitrile
CID 106709352
5-[(4-hydroxycyclohexyl)methylamino]-2,2-dimethylpentanenitrile
CID 114147881
6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile
CID 106709324
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
6-(2,2-dimethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709688
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
6-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylhexanenitrile
CID 106709462
5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303
4-(hexylamino)-2,2-dimethylbutanenitrile
CID 65253637
2,2-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pentanenitrile
CID 65254297
2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile
CID 65253924
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile (CID 106709405) is 6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCNCCC1CC1.
What is the InChIKey of 6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile?
The InChIKey is AZYWTNJBIAQSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-13(2,11-14)8-3-4-9-15-10-7-12-5-6-12/h12,15H,3-10H2,1-2H3.
What are the key properties of 6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile?
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).