(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride

C7H18Cl2N2 — CID 67298942

IUPAC(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
SMILESCC(C)N1CC[C@H](N)C1.Cl.Cl
InChIInChI=1S/C7H16N2.2ClH/c1-6(2)9-4-3-7(8)5-9;;/h6-7H,3-5,8H2,1-2H3;2*1H/t7-;;/m0../s1
InChIKeyVBJDQXDPLUEPER-KLXURFKVSA-N
MW201.14 g/mol
LogP1.27
Rot. Bonds1

About (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride

(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride (PubChem CID 67298942) has the molecular formula C7H18Cl2N2 and a molecular weight of 201.14 g/mol. Its IUPAC name is (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
PubChem CID67298942
Molecular FormulaC7H18Cl2N2
Molecular Weight201.14 g/mol
Exact Mass200.08
IUPAC Name(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
SMILESCC(C)N1CC[C@H](N)C1.Cl.Cl
InChIInChI=1S/C7H16N2.2ClH/c1-6(2)9-4-3-7(8)5-9;;/h6-7H,3-5,8H2,1-2H3;2*1H/t7-;;/m0../s1
InChIKeyVBJDQXDPLUEPER-KLXURFKVSA-N
XLogP1.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride 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

1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
CID 166000535
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
1-(3-aminopyrrolidin-1-yl)ethanesulfonamide
CID 66872261
(3S)-1-(4,4,4-trifluorobutan-2-yl)pyrrolidin-3-amine;hydrochloride
CID 130617405
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
(3R)-1-(1,3-difluoropropan-2-yl)pyrrolidin-3-amine;dihydrochloride
CID 118994718
1-(1-cyclobutyl-2-methylpropyl)pyrrolidin-3-amine
CID 130639012
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176763978
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726

Frequently Asked Questions

What is the IUPAC name of (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride (CID 67298942) is (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride is CC(C)N1CC[C@H](N)C1.Cl.Cl.
What is the InChIKey of (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is VBJDQXDPLUEPER-KLXURFKVSA-N. The full InChI is InChI=1S/C7H16N2.2ClH/c1-6(2)9-4-3-7(8)5-9;;/h6-7H,3-5,8H2,1-2H3;2*1H/t7-;;/m0../s1.
What are the key properties of (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride?
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 201.14 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 67298942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).