1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine

C15H31N3 — CID 63166714

IUPAC1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC(C)CNC2CC2)C1
InChIInChI=1S/C15H31N3/c1-4-18(5-2)15-8-9-17(12-15)11-13(3)10-16-14-6-7-14/h13-16H,4-12H2,1-3H3
InChIKeyBRAGUMSGAFHGRD-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds8

About 1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine

1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63166714) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63166714
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CC(C)CNC2CC2)C1
InChIInChI=1S/C15H31N3/c1-4-18(5-2)15-8-9-17(12-15)11-13(3)10-16-14-6-7-14/h13-16H,4-12H2,1-3H3
InChIKeyBRAGUMSGAFHGRD-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine (CID 63166714) is 1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(CC(C)CNC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is BRAGUMSGAFHGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-18(5-2)15-8-9-17(12-15)11-13(3)10-16-14-6-7-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine?
1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63166714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).