2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine

C18H29N3 — CID 112727664

IUPAC2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
SMILESCC(CNCc1ccccc1N1CCCC1)N1CCCC1
InChIInChI=1S/C18H29N3/c1-16(20-10-4-5-11-20)14-19-15-17-8-2-3-9-18(17)21-12-6-7-13-21/h2-3,8-9,16,19H,4-7,10-15H2,1H3
InChIKeyJRQWTVVTIJDGEZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.86
Rot. Bonds6

About 2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine

2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine (PubChem CID 112727664) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
PubChem CID112727664
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
SMILESCC(CNCc1ccccc1N1CCCC1)N1CCCC1
InChIInChI=1S/C18H29N3/c1-16(20-10-4-5-11-20)14-19-15-17-8-2-3-9-18(17)21-12-6-7-13-21/h2-3,8-9,16,19H,4-7,10-15H2,1H3
InChIKeyJRQWTVVTIJDGEZ-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 112727650
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 61011125
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
1-cyclopropyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethanol
CID 63294792
N-[(2-pyrrolidin-1-ylphenyl)methyl]but-2-yn-1-amine
CID 113342039
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060169
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499393
N'-hydroxy-2-[(2-piperidin-1-ylpropylamino)methyl]benzenecarboximidamide
CID 77031315

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine?
The IUPAC name of 2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine (CID 112727664) is 2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine is CC(CNCc1ccccc1N1CCCC1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine?
The InChIKey is JRQWTVVTIJDGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-16(20-10-4-5-11-20)14-19-15-17-8-2-3-9-18(17)21-12-6-7-13-21/h2-3,8-9,16,19H,4-7,10-15H2,1H3.
What are the key properties of 2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine?
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 112727664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).