[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine

C14H27N3 — CID 115453856

IUPAC[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
SMILESNCC1(CN2CCC(N3CCCCC3)C2)CC1
InChIInChI=1S/C14H27N3/c15-11-14(5-6-14)12-16-9-4-13(10-16)17-7-2-1-3-8-17/h13H,1-12,15H2
InChIKeyLUXOKIPCCPATNJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.29
Rot. Bonds4

About [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine

[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine (PubChem CID 115453856) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
PubChem CID115453856
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
SMILESNCC1(CN2CCC(N3CCCCC3)C2)CC1
InChIInChI=1S/C14H27N3/c15-11-14(5-6-14)12-16-9-4-13(10-16)17-7-2-1-3-8-17/h13H,1-12,15H2
InChIKeyLUXOKIPCCPATNJ-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine (CID 115453856) is [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine is NCC1(CN2CCC(N3CCCCC3)C2)CC1.
What is the InChIKey of [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine?
The InChIKey is LUXOKIPCCPATNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c15-11-14(5-6-14)12-16-9-4-13(10-16)17-7-2-1-3-8-17/h13H,1-12,15H2.
What are the key properties of [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine?
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine has a molecular weight of 237.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 115453856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).