1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one

C11H21N3O — CID 115880387

IUPAC1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
SMILESCC(NC1CCNC1)C(=O)N1CCCC1
InChIInChI=1S/C11H21N3O/c1-9(13-10-4-5-12-8-10)11(15)14-6-2-3-7-14/h9-10,12-13H,2-8H2,1H3
InChIKeyRBOOZKAHVSJRCV-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.05
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one

1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one (PubChem CID 115880387) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
PubChem CID115880387
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
SMILESCC(NC1CCNC1)C(=O)N1CCCC1
InChIInChI=1S/C11H21N3O/c1-9(13-10-4-5-12-8-10)11(15)14-6-2-3-7-14/h9-10,12-13H,2-8H2,1H3
InChIKeyRBOOZKAHVSJRCV-UHFFFAOYSA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 79730724
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]piperidine-1-carboxamide
CID 60932505
ethyl 2-(pyrrolidin-3-ylamino)propanoate
CID 79741945
N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
CID 115880385
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743
2-[(3,5-dimethylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 64753004

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one (CID 115880387) is 1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one is CC(NC1CCNC1)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one?
The InChIKey is RBOOZKAHVSJRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(13-10-4-5-12-8-10)11(15)14-6-2-3-7-14/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one?
1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one has a molecular weight of 211.31 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one is sourced from PubChem (CID 115880387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).