2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile

C10H15F3N2 — CID 106212446

IUPAC2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile
SMILESCC(C)(C#N)CCNC1(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2/c1-8(2,7-14)5-6-15-9(3-4-9)10(11,12)13/h15H,3-6H2,1-2H3
InChIKeyLITNRJZNRJYRCO-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.61
Rot. Bonds4

About 2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile

2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile (PubChem CID 106212446) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile
PubChem CID106212446
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile
SMILESCC(C)(C#N)CCNC1(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2/c1-8(2,7-14)5-6-15-9(3-4-9)10(11,12)13/h15H,3-6H2,1-2H3
InChIKeyLITNRJZNRJYRCO-UHFFFAOYSA-N
XLogP2.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
4,4-dimethyl-1-N-[1-(trifluoromethyl)cyclopropyl]pentane-1,3-diamine
CID 106219307
N-decyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210328
N-propyl-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
CID 106219094
N-(2-ethoxyethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212436
3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol
CID 106212158
N-propyl-1-(trifluoromethyl)cyclopentan-1-amine
CID 66206814
N-propyl-1-(trifluoromethyl)cyclododecan-1-amine
CID 66206608
2,2-dimethyl-4-(2,3,4,5,6-pentafluoroanilino)butanenitrile
CID 115564371
2,2-dimethyl-4-[4-(trifluoromethyl)anilino]butanenitrile
CID 65247134
4-fluoro-2,2-dimethylbutanenitrile
CID 126977208
5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile (CID 106212446) is 2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile is CC(C)(C#N)CCNC1(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile?
The InChIKey is LITNRJZNRJYRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-8(2,7-14)5-6-15-9(3-4-9)10(11,12)13/h15H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile?
2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile has a molecular weight of 220.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]butanenitrile is sourced from PubChem (CID 106212446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).