3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile

C14H23F3N2 — CID 103367397

IUPAC3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile
SMILESCC(C)CC1(CNCC(C#N)C(F)(F)F)CCCC1
InChIInChI=1S/C14H23F3N2/c1-11(2)7-13(5-3-4-6-13)10-19-9-12(8-18)14(15,16)17/h11-12,19H,3-7,9-10H2,1-2H3
InChIKeyCDBMKSVBVVNJDS-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.88
Rot. Bonds6

About 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile

3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile (PubChem CID 103367397) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile
PubChem CID103367397
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile
SMILESCC(C)CC1(CNCC(C#N)C(F)(F)F)CCCC1
InChIInChI=1S/C14H23F3N2/c1-11(2)7-13(5-3-4-6-13)10-19-9-12(8-18)14(15,16)17/h11-12,19H,3-7,9-10H2,1-2H3
InChIKeyCDBMKSVBVVNJDS-UHFFFAOYSA-N
XLogP3.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]propanenitrile
CID 103367343
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanimidamide
CID 103369991
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
3,3,3-trifluoro-2-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]propanenitrile
CID 103367626
3,3,3-trifluoro-2-[(5-methylhexylamino)methyl]propanenitrile
CID 103367461
3,3,3-trifluoro-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanenitrile
CID 106100709
5-methoxy-1-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,2-diamine
CID 81101419
methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
CID 114281374
1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 114269796
ethyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
CID 114281375
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692
1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine
CID 102869767

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile (CID 103367397) is 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile is CC(C)CC1(CNCC(C#N)C(F)(F)F)CCCC1.
What is the InChIKey of 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile?
The InChIKey is CDBMKSVBVVNJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-11(2)7-13(5-3-4-6-13)10-19-9-12(8-18)14(15,16)17/h11-12,19H,3-7,9-10H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile has a molecular weight of 276.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]propanenitrile is sourced from PubChem (CID 103367397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).