N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride

C9H18ClF3N2 — CID 119934792

IUPACN-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
SMILESCCCN(CC(F)(F)F)C1CCNC1.Cl
InChIInChI=1S/C9H17F3N2.ClH/c1-2-5-14(7-9(10,11)12)8-3-4-13-6-8;/h8,13H,2-7H2,1H3;1H
InChIKeyNIUQYIRSROORBZ-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.04
Rot. Bonds4

About N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride

N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 119934792) has the molecular formula C9H18ClF3N2 and a molecular weight of 246.70 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
PubChem CID119934792
Molecular FormulaC9H18ClF3N2
Molecular Weight246.70 g/mol
Exact Mass246.11
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
SMILESCCCN(CC(F)(F)F)C1CCNC1.Cl
InChIInChI=1S/C9H17F3N2.ClH/c1-2-5-14(7-9(10,11)12)8-3-4-13-6-8;/h8,13H,2-7H2,1H3;1H
InChIKeyNIUQYIRSROORBZ-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride 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

N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
N,N-diethyl-N'-piperidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 64852960
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 65178290
N-propyl-N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120838258
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine
CID 115741376
N-cyclopropyl-N-methyl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921748
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
methane;(3R)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 157275327
3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
CID 79467698

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride (CID 119934792) is N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride is CCCN(CC(F)(F)F)C1CCNC1.Cl.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is NIUQYIRSROORBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2.ClH/c1-2-5-14(7-9(10,11)12)8-3-4-13-6-8;/h8,13H,2-7H2,1H3;1H.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride?
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 246.70 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119934792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).