3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine

C11H22F2N2 — CID 80605774

IUPAC3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine
SMILESCCCNC1(C(F)F)CCN(C(C)C)C1
InChIInChI=1S/C11H22F2N2/c1-4-6-14-11(10(12)13)5-7-15(8-11)9(2)3/h9-10,14H,4-8H2,1-3H3
InChIKeySJOWXTVDSBIFQD-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.10
Rot. Bonds5

About 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine

3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine (PubChem CID 80605774) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine
PubChem CID80605774
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine
SMILESCCCNC1(C(F)F)CCN(C(C)C)C1
InChIInChI=1S/C11H22F2N2/c1-4-6-14-11(10(12)13)5-7-15(8-11)9(2)3/h9-10,14H,4-8H2,1-3H3
InChIKeySJOWXTVDSBIFQD-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine 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

4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine
CID 80605882
1-(difluoromethyl)-N-propylcycloheptan-1-amine
CID 80604942
ethane;4-methyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 170571754
4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine
CID 80610896
4-(difluoromethyl)-N-propyloxepan-4-amine
CID 80606016
1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
CID 43754005
4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine
CID 80605526
3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine
CID 167200051
3-(2-methylpropyl)-1-propan-2-yl-3-propylpyrrolidine
CID 174258805
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
7-propan-2-yl-3-propyl-1-oxa-3,7-diazaspiro[4.4]nonane
CID 176693517
3,3-difluoro-1-propan-2-yl-4-propylpiperidine
CID 162618217

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine?
The IUPAC name of 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine (CID 80605774) is 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine?
The canonical SMILES for 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine is CCCNC1(C(F)F)CCN(C(C)C)C1.
What is the InChIKey of 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine?
The InChIKey is SJOWXTVDSBIFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-4-6-14-11(10(12)13)5-7-15(8-11)9(2)3/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine?
3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine has a molecular weight of 220.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 80605774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).