[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone

C12H23N3O — CID 79155943

IUPAC[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESNCCCC1CCCN1C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O/c13-7-3-5-11-6-4-10-15(11)12(16)14-8-1-2-9-14/h11H,1-10,13H2
InChIKeyHHYLRTHEQXZGMP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.41
Rot. Bonds3

About [2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone

[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 79155943) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID79155943
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESNCCCC1CCCN1C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O/c13-7-3-5-11-6-4-10-15(11)12(16)14-8-1-2-9-14/h11H,1-10,13H2
InChIKeyHHYLRTHEQXZGMP-UHFFFAOYSA-N
XLogP1.41
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 63765952
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 82506005
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 55241586
2-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 63767696
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 63767297
2-(3-aminopropyl)piperidine-1-carbodithioic acid
CID 87556906
tert-butyl (2R)-2-(3-aminopropyl)piperidine-1-carboxylate
CID 34178148
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,1-dioxothian-2-yl)methanone
CID 104522504
5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 104684988
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79159225

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone (CID 79155943) is [2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone is NCCCC1CCCN1C(=O)N1CCCC1.
What is the InChIKey of [2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HHYLRTHEQXZGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-7-3-5-11-6-4-10-15(11)12(16)14-8-1-2-9-14/h11H,1-10,13H2.
What are the key properties of [2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone?
[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 225.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 79155943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).