3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride

C8H20Cl2N2 — CID 155943388

IUPAC3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride
SMILESCN1CCCC1CCCN.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-10-7-3-5-8(10)4-2-6-9;;/h8H,2-7,9H2,1H3;2*1H
InChIKeyUCYSQPIPABILOC-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.66
Rot. Bonds3

About 3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride

3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride (PubChem CID 155943388) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride
PubChem CID155943388
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Name3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride
SMILESCN1CCCC1CCCN.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-10-7-3-5-8(10)4-2-6-9;;/h8H,2-7,9H2,1H3;2*1H
InChIKeyUCYSQPIPABILOC-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride (CID 155943388) is 3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride is CN1CCCC1CCCN.Cl.Cl.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride?
The InChIKey is UCYSQPIPABILOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2ClH/c1-10-7-3-5-8(10)4-2-6-9;;/h8H,2-7,9H2,1H3;2*1H.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride?
3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride has a molecular weight of 215.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 155943388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).