2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine

C15H31N3 — CID 117239088

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)N1CCC(C(CN)CN2CCCC2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)18-9-5-14(6-10-18)15(11-16)12-17-7-3-4-8-17/h13-15H,3-12,16H2,1-2H3
InChIKeyIPJJFFWYUKXDMJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.78
Rot. Bonds5

About 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine

2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 117239088) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID117239088
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)N1CCC(C(CN)CN2CCCC2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)18-9-5-14(6-10-18)15(11-16)12-17-7-3-4-8-17/h13-15H,3-12,16H2,1-2H3
InChIKeyIPJJFFWYUKXDMJ-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
CID 117237666
2-cyclobutyl-3-piperidin-1-ylpropan-1-amine
CID 117245614
2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 117238624
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237668
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 117239139
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
1,4-di(propan-2-yl)piperidine
CID 21303253
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237587
N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237573

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine (CID 117239088) is 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine is CC(C)N1CCC(C(CN)CN2CCCC2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is IPJJFFWYUKXDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)18-9-5-14(6-10-18)15(11-16)12-17-7-3-4-8-17/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine?
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 117239088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).