(3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride

C5H14Cl2N2 — CID 25178690

IUPAC(3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride
SMILESC[C@H]1CNC[C@@H]1N.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-4-2-7-3-5(4)6;;/h4-5,7H,2-3,6H2,1H3;2*1H/t4-,5-;;/m0../s1
InChIKeyXHVYAOXNULEUHH-RSLHMRQOSA-N
MW173.09 g/mol
LogP0.40
Rot. Bonds

About (3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride

(3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride (PubChem CID 25178690) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is (3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride
PubChem CID25178690
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC Name(3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride
SMILESC[C@H]1CNC[C@@H]1N.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-4-2-7-3-5(4)6;;/h4-5,7H,2-3,6H2,1H3;2*1H/t4-,5-;;/m0../s1
InChIKeyXHVYAOXNULEUHH-RSLHMRQOSA-N
XLogP0.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
3,5-dimethylpiperidin-4-amine
CID 10171243
(3S)-4-methylazepan-3-amine
CID 155145613
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
acetaldehyde;(3S,4R)-3,4-dimethylpyrrolidine;ethane
CID 143696476
(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
CID 67314821
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride
CID 11424235
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644
(4-methylpyrrolidin-3-yl)methanol
CID 23396990
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride (CID 25178690) is (3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride is C[C@H]1CNC[C@@H]1N.Cl.Cl.
What is the InChIKey of (3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is XHVYAOXNULEUHH-RSLHMRQOSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c1-4-2-7-3-5(4)6;;/h4-5,7H,2-3,6H2,1H3;2*1H/t4-,5-;;/m0../s1.
What are the key properties of (3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride?
(3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 25178690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).