1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile

C12H20F3N3 — CID 79573611

IUPAC1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCN(CCC1CCCC1(N)C#N)CCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-18(8-6-12(13,14)15)7-4-10-3-2-5-11(10,17)9-16/h10H,2-8,17H2,1H3
InChIKeyTYCJMUXUWYKVFF-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.28
Rot. Bonds5

About 1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79573611) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79573611
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCN(CCC1CCCC1(N)C#N)CCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-18(8-6-12(13,14)15)7-4-10-3-2-5-11(10,17)9-16/h10H,2-8,17H2,1H3
InChIKeyTYCJMUXUWYKVFF-UHFFFAOYSA-N
XLogP2.28
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile (CID 79573611) is 1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile is CN(CCC1CCCC1(N)C#N)CCC(F)(F)F.
What is the InChIKey of 1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is TYCJMUXUWYKVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-18(8-6-12(13,14)15)7-4-10-3-2-5-11(10,17)9-16/h10H,2-8,17H2,1H3.
What are the key properties of 1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 263.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[methyl(3,3,3-trifluoropropyl)amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79573611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).