N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride

C7H15Cl3N2 — CID 175958246

IUPACN-prop-2-ynylpyrrolidin-3-amine;trihydrochloride
SMILESC#CCNC1CCNC1.Cl.Cl.Cl
InChIInChI=1S/C7H12N2.3ClH/c1-2-4-9-7-3-5-8-6-7;;;/h1,7-9H,3-6H2;3*1H
InChIKeyNREANCDZCQKQSD-UHFFFAOYSA-N
MW233.57 g/mol
LogP0.84
Rot. Bonds2

About N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride

N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride (PubChem CID 175958246) has the molecular formula C7H15Cl3N2 and a molecular weight of 233.57 g/mol. Its IUPAC name is N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride.

Molecular Properties

Compound NameN-prop-2-ynylpyrrolidin-3-amine;trihydrochloride
PubChem CID175958246
Molecular FormulaC7H15Cl3N2
Molecular Weight233.57 g/mol
Exact Mass232.03
IUPAC NameN-prop-2-ynylpyrrolidin-3-amine;trihydrochloride
SMILESC#CCNC1CCNC1.Cl.Cl.Cl
InChIInChI=1S/C7H12N2.3ClH/c1-2-4-9-7-3-5-8-6-7;;;/h1,7-9H,3-6H2;3*1H
InChIKeyNREANCDZCQKQSD-UHFFFAOYSA-N
XLogP0.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.57
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride?
The IUPAC name of N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride (CID 175958246) is N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride.
What is the SMILES notation for N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride?
The canonical SMILES for N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride is C#CCNC1CCNC1.Cl.Cl.Cl.
What is the InChIKey of N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride?
The InChIKey is NREANCDZCQKQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.3ClH/c1-2-4-9-7-3-5-8-6-7;;;/h1,7-9H,3-6H2;3*1H.
What are the key properties of N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride?
N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride has a molecular weight of 233.57 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylpyrrolidin-3-amine;trihydrochloride is sourced from PubChem (CID 175958246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).