(3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride

C6H13ClN2 — CID 22847909

IUPAC(3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride
SMILESC=C1CNC[C@H]1NC.Cl
InChIInChI=1S/C6H12N2.ClH/c1-5-3-8-4-6(5)7-2;/h6-8H,1,3-4H2,2H3;1H/t6-;/m1./s1
InChIKeyULZFHZJHFLSLLR-FYZOBXCZSA-N
MW148.64 g/mol
LogP0.16
Rot. Bonds1

About (3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride

(3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride (PubChem CID 22847909) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is (3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride
PubChem CID22847909
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name(3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride
SMILESC=C1CNC[C@H]1NC.Cl
InChIInChI=1S/C6H12N2.ClH/c1-5-3-8-4-6(5)7-2;/h6-8H,1,3-4H2,2H3;1H/t6-;/m1./s1
InChIKeyULZFHZJHFLSLLR-FYZOBXCZSA-N
XLogP0.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride (CID 22847909) is (3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride is C=C1CNC[C@H]1NC.Cl.
What is the InChIKey of (3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride?
The InChIKey is ULZFHZJHFLSLLR-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c1-5-3-8-4-6(5)7-2;/h6-8H,1,3-4H2,2H3;1H/t6-;/m1./s1.
What are the key properties of (3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride?
(3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 22847909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).