1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine

C18H29N3 — CID 61471775

IUPAC1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
SMILESCC(CN1CCCC1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3/c1-16(13-20-10-5-6-11-20)19-18-9-12-21(15-18)14-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3
InChIKeyJAZLYKJSFOQROX-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.33
Rot. Bonds6

About 1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine

1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine (PubChem CID 61471775) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
PubChem CID61471775
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
SMILESCC(CN1CCCC1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3/c1-16(13-20-10-5-6-11-20)19-18-9-12-21(15-18)14-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3
InChIKeyJAZLYKJSFOQROX-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
CID 103777389
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 43150704
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 113222336
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
CID 113223834
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine (CID 61471775) is 1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine is CC(CN1CCCC1)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine?
The InChIKey is JAZLYKJSFOQROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-16(13-20-10-5-6-11-20)19-18-9-12-21(15-18)14-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3.
What are the key properties of 1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine?
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine has a molecular weight of 287.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 61471775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).