propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile

C14H25F3N2 — CID 145395221

IUPACpropane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile
SMILESCCC.N#CCC1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2.C3H8/c12-11(13,14)6-8-16-10-3-1-9(2-4-10)5-7-15;1-3-2/h9-10,16H,1-6,8H2;3H2,1-2H3
InChIKeyRJUNOYBNSIUZPJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.42
Rot. Bonds4

About propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile

propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile (PubChem CID 145395221) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile.

Molecular Properties

Compound Namepropane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile
PubChem CID145395221
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Namepropane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile
SMILESCCC.N#CCC1CCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2.C3H8/c12-11(13,14)6-8-16-10-3-1-9(2-4-10)5-7-15;1-3-2/h9-10,16H,1-6,8H2;3H2,1-2H3
InChIKeyRJUNOYBNSIUZPJ-UHFFFAOYSA-N
XLogP4.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile 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

4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 65091618
4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 177148467
3-[[[4-(cyanomethyl)cyclohexyl]amino]methyl]benzonitrile;propane
CID 145394544
2-[4-(4-propylcyclohexyl)cyclohexyl]acetonitrile
CID 14204808
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]acetonitrile
CID 70840657
N-[4-(cyanomethyl)cyclohexyl]-2-ethylbutanamide
CID 115270253
3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 112553169
N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 79741324
3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039078
N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115520291

Frequently Asked Questions

What is the IUPAC name of propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile?
The IUPAC name of propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile (CID 145395221) is propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile.
What is the SMILES notation for propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile?
The canonical SMILES for propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile is CCC.N#CCC1CCC(NCCC(F)(F)F)CC1.
What is the InChIKey of propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile?
The InChIKey is RJUNOYBNSIUZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2.C3H8/c12-11(13,14)6-8-16-10-3-1-9(2-4-10)5-7-15;1-3-2/h9-10,16H,1-6,8H2;3H2,1-2H3.
What are the key properties of propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile?
propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile has a molecular weight of 278.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile is sourced from PubChem (CID 145395221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).