N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride

C6H13ClN2 — CID 19792821

IUPACN-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride
SMILESC=C1CNCC1NC.Cl
InChIInChI=1S/C6H12N2.ClH/c1-5-3-8-4-6(5)7-2;/h6-8H,1,3-4H2,2H3;1H
InChIKeyULZFHZJHFLSLLR-UHFFFAOYSA-N
MW148.64 g/mol
LogP0.16
Rot. Bonds1

About N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride

N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride (PubChem CID 19792821) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride
PubChem CID19792821
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC NameN-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride
SMILESC=C1CNCC1NC.Cl
InChIInChI=1S/C6H12N2.ClH/c1-5-3-8-4-6(5)7-2;/h6-8H,1,3-4H2,2H3;1H
InChIKeyULZFHZJHFLSLLR-UHFFFAOYSA-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 N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride (CID 19792821) is N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride is C=C1CNCC1NC.Cl.
What is the InChIKey of N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride?
The InChIKey is ULZFHZJHFLSLLR-UHFFFAOYSA-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.
What are the key properties of N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride?
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 N-methyl-4-methylidenepyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 19792821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).