N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine

C11H22N2 — CID 63143322

IUPACN-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
SMILESCCCC1(CNC2CC2)CCNC1
InChIInChI=1S/C11H22N2/c1-2-5-11(6-7-12-8-11)9-13-10-3-4-10/h10,12-13H,2-9H2,1H3
InChIKeyJEBZILJBHYIRHW-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.52
Rot. Bonds5

About N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine

N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine (PubChem CID 63143322) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
PubChem CID63143322
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
SMILESCCCC1(CNC2CC2)CCNC1
InChIInChI=1S/C11H22N2/c1-2-5-11(6-7-12-8-11)9-13-10-3-4-10/h10,12-13H,2-9H2,1H3
InChIKeyJEBZILJBHYIRHW-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine (CID 63143322) is N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine is CCCC1(CNC2CC2)CCNC1.
What is the InChIKey of N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine?
The InChIKey is JEBZILJBHYIRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-5-11(6-7-12-8-11)9-13-10-3-4-10/h10,12-13H,2-9H2,1H3.
What are the key properties of N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine?
N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine has a molecular weight of 182.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63143322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).