(3S,4S)-3,4-dimethylpyrrolidine;hydrochloride

C6H14ClN — CID 91654323

IUPAC(3S,4S)-3,4-dimethylpyrrolidine;hydrochloride
SMILESC[C@@H]1CNC[C@H]1C.Cl
InChIInChI=1S/C6H13N.ClH/c1-5-3-7-4-6(5)2;/h5-7H,3-4H2,1-2H3;1H/t5-,6-;/m1./s1
InChIKeyNENQMVAHTAYJTP-KGZKBUQUSA-N
MW135.64 g/mol
LogP1.28
Rot. Bonds

About (3S,4S)-3,4-dimethylpyrrolidine;hydrochloride

(3S,4S)-3,4-dimethylpyrrolidine;hydrochloride (PubChem CID 91654323) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethylpyrrolidine;hydrochloride
PubChem CID91654323
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name(3S,4S)-3,4-dimethylpyrrolidine;hydrochloride
SMILESC[C@@H]1CNC[C@H]1C.Cl
InChIInChI=1S/C6H13N.ClH/c1-5-3-7-4-6(5)2;/h5-7H,3-4H2,1-2H3;1H/t5-,6-;/m1./s1
InChIKeyNENQMVAHTAYJTP-KGZKBUQUSA-N
XLogP1.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Dimethylpyrrolidine
CID 14949211
3-Ethylpyrrolidine
CID 12648195
3-Methylpyrrolidine
CID 118158
(3R)-pyrrolidin-3-ylmethanamine
CID 1519366
3-Methylpyrrolidine hydrochloride
CID 12464314
3,4-Dimethylpyrrolidine hydrochloride
CID 23091077
(3S)-3-methylpyrrolidine hydrochloride
CID 44828593
(3R)-3-Methylpyrrolidine--hydrogen chloride (1/1)
CID 44828594
3,3-Dimethylpyrrolidine hydrochloride
CID 46736057
1-(Pyrrolidin-3-yl)methanamine dihydrochloride
CID 57383510
3-(Propan-2-yl)pyrrolidine hydrochloride
CID 71755758
3-Ethylpyrrolidine hydrochloride
CID 71755796

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dimethylpyrrolidine;hydrochloride?
The IUPAC name of (3S,4S)-3,4-dimethylpyrrolidine;hydrochloride (CID 91654323) is (3S,4S)-3,4-dimethylpyrrolidine;hydrochloride.
What is the SMILES notation for (3S,4S)-3,4-dimethylpyrrolidine;hydrochloride?
The canonical SMILES for (3S,4S)-3,4-dimethylpyrrolidine;hydrochloride is C[C@@H]1CNC[C@H]1C.Cl.
What is the InChIKey of (3S,4S)-3,4-dimethylpyrrolidine;hydrochloride?
The InChIKey is NENQMVAHTAYJTP-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H13N.ClH/c1-5-3-7-4-6(5)2;/h5-7H,3-4H2,1-2H3;1H/t5-,6-;/m1./s1.
What are the key properties of (3S,4S)-3,4-dimethylpyrrolidine;hydrochloride?
(3S,4S)-3,4-dimethylpyrrolidine;hydrochloride has a molecular weight of 135.64 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethylpyrrolidine;hydrochloride is sourced from PubChem (CID 91654323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).