3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine

C10H19F3N2 — CID 79467698

IUPAC3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
SMILESCCCN(CC(F)(F)F)C1CCC(N)C1
InChIInChI=1S/C10H19F3N2/c1-2-5-15(7-10(11,12)13)9-4-3-8(14)6-9/h8-9H,2-7,14H2,1H3
InChIKeySRLDAGNMAUPMBL-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.14
Rot. Bonds4

About 3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine

3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine (PubChem CID 79467698) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
PubChem CID79467698
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
SMILESCCCN(CC(F)(F)F)C1CCC(N)C1
InChIInChI=1S/C10H19F3N2/c1-2-5-15(7-10(11,12)13)9-4-3-8(14)6-9/h8-9H,2-7,14H2,1H3
InChIKeySRLDAGNMAUPMBL-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618717
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792
3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one
CID 79644095
2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 80997965
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine
CID 103034869
1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine
CID 79468427
3-N-[3-(diethylamino)propyl]-3-N-ethylcyclopentane-1,3-diamine
CID 102992615
2-[(3-aminocyclopentyl)-butylamino]acetamide
CID 79468490
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531

Frequently Asked Questions

What is the IUPAC name of 3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine (CID 79467698) is 3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine is CCCN(CC(F)(F)F)C1CCC(N)C1.
What is the InChIKey of 3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine?
The InChIKey is SRLDAGNMAUPMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-5-15(7-10(11,12)13)9-4-3-8(14)6-9/h8-9H,2-7,14H2,1H3.
What are the key properties of 3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine?
3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79467698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).