3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile

C11H17F3N2 — CID 103366950

IUPAC3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile
SMILESCC1CCC(NCC(C#N)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2/c1-8-2-4-10(5-3-8)16-7-9(6-15)11(12,13)14/h8-10,16H,2-5,7H2,1H3
InChIKeyIAZQPYAFTAYBSW-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.86
Rot. Bonds3

About 3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile (PubChem CID 103366950) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile
PubChem CID103366950
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile
SMILESCC1CCC(NCC(C#N)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2/c1-8-2-4-10(5-3-8)16-7-9(6-15)11(12,13)14/h8-10,16H,2-5,7H2,1H3
InChIKeyIAZQPYAFTAYBSW-UHFFFAOYSA-N
XLogP2.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-[(thian-4-ylamino)methyl]propanenitrile
CID 103367586
2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367549
2-[[(3-ethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367326
3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile
CID 103367209
1,1-difluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 103731557
3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile
CID 103367367
3,3,3-trifluoro-2-[(hexan-3-ylamino)methyl]propanenitrile
CID 103367211
N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine
CID 81015091
3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]propanenitrile
CID 103367343
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
2-N,2-N,3-trimethyl-1-N-(4-methylcyclohexyl)butane-1,2-diamine
CID 43205434

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile (CID 103366950) is 3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile is CC1CCC(NCC(C#N)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile?
The InChIKey is IAZQPYAFTAYBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-8-2-4-10(5-3-8)16-7-9(6-15)11(12,13)14/h8-10,16H,2-5,7H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile has a molecular weight of 234.26 g/mol, XLogP of 2.86, 3 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-[[(4-methylcyclohexyl)amino]methyl]propanenitrile is sourced from PubChem (CID 103366950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).