2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone

C12H25N3O — CID 43137313

IUPAC2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCCN(CCCN)CC(=O)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-2-7-14(8-5-6-13)11-12(16)15-9-3-4-10-15/h2-11,13H2,1H3
InChIKeySPCJYMWGIZKBEE-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds7

About 2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone

2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 43137313) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID43137313
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCCN(CCCN)CC(=O)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-2-7-14(8-5-6-13)11-12(16)15-9-3-4-10-15/h2-11,13H2,1H3
InChIKeySPCJYMWGIZKBEE-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
2-[propyl(prop-2-ynyl)amino]-1-pyrrolidin-1-ylethanone
CID 170289305
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
2-[2-aminoethyl(butyl)amino]-1-morpholin-4-ylethanone
CID 63758934
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 61457074
2-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]-N-propylacetamide
CID 87015051
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
2-[3-aminopropyl(propyl)amino]-N-carbamoylacetamide
CID 43137300
ethane;1-(4-ethylpiperidin-1-yl)-2-[hexyl(propyl)amino]ethanone
CID 176968729

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone (CID 43137313) is 2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone is CCCN(CCCN)CC(=O)N1CCCC1.
What is the InChIKey of 2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is SPCJYMWGIZKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-7-14(8-5-6-13)11-12(16)15-9-3-4-10-15/h2-11,13H2,1H3.
What are the key properties of 2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone?
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 227.35 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43137313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).