(3S)-1-methylpyrrolidin-3-amine;dihydrochloride

C5H14Cl2N2 — CID 53256033

IUPAC(3S)-1-methylpyrrolidin-3-amine;dihydrochloride
SMILESCN1CC[C@H](N)C1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-7-3-2-5(6)4-7;;/h5H,2-4,6H2,1H3;2*1H/t5-;;/m0../s1
InChIKeyKMENRFVAAKFKIM-XRIGFGBMSA-N
MW173.09 g/mol
LogP0.49
Rot. Bonds

About (3S)-1-methylpyrrolidin-3-amine;dihydrochloride

(3S)-1-methylpyrrolidin-3-amine;dihydrochloride (PubChem CID 53256033) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is (3S)-1-methylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3S)-1-methylpyrrolidin-3-amine;dihydrochloride
PubChem CID53256033
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC Name(3S)-1-methylpyrrolidin-3-amine;dihydrochloride
SMILESCN1CC[C@H](N)C1.Cl.Cl
InChIInChI=1S/C5H12N2.2ClH/c1-7-3-2-5(6)4-7;;/h5H,2-4,6H2,1H3;2*1H/t5-;;/m0../s1
InChIKeyKMENRFVAAKFKIM-XRIGFGBMSA-N
XLogP0.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3S)-1-methylpyrrolidin-3-amine;dihydrochloride (CID 53256033) is (3S)-1-methylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3S)-1-methylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3S)-1-methylpyrrolidin-3-amine;dihydrochloride is CN1CC[C@H](N)C1.Cl.Cl.
What is the InChIKey of (3S)-1-methylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is KMENRFVAAKFKIM-XRIGFGBMSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c1-7-3-2-5(6)4-7;;/h5H,2-4,6H2,1H3;2*1H/t5-;;/m0../s1.
What are the key properties of (3S)-1-methylpyrrolidin-3-amine;dihydrochloride?
(3S)-1-methylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 53256033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).