3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine

C12H22F3N3 — CID 79462149

IUPAC3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine
SMILESNC1CCC(NCC2CCN(CC(F)(F)F)C2)C1
InChIInChI=1S/C12H22F3N3/c13-12(14,15)8-18-4-3-9(7-18)6-17-11-2-1-10(16)5-11/h9-11,17H,1-8,16H2
InChIKeyOVTYVIKNDBACIY-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.34
Rot. Bonds4

About 3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine

3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine (PubChem CID 79462149) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine
PubChem CID79462149
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine
SMILESNC1CCC(NCC2CCN(CC(F)(F)F)C2)C1
InChIInChI=1S/C12H22F3N3/c13-12(14,15)8-18-4-3-9(7-18)6-17-11-2-1-10(16)5-11/h9-11,17H,1-8,16H2
InChIKeyOVTYVIKNDBACIY-UHFFFAOYSA-N
XLogP1.34
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
CID 60854964
1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164
3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 66004496
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
3-(2-fluorophenyl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclobutan-1-amine
CID 124698420
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide
CID 64992436
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
N-[[1-[2-(dimethylamino)-2-methylpropyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513271
2-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
CID 60856324

Frequently Asked Questions

What is the IUPAC name of 3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine (CID 79462149) is 3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine is NC1CCC(NCC2CCN(CC(F)(F)F)C2)C1.
What is the InChIKey of 3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine?
The InChIKey is OVTYVIKNDBACIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c13-12(14,15)8-18-4-3-9(7-18)6-17-11-2-1-10(16)5-11/h9-11,17H,1-8,16H2.
What are the key properties of 3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine?
3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine has a molecular weight of 265.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79462149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).