2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C12H25N3O — CID 43137255

IUPAC2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCN(CCCN)C(C)C(=O)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-14(10-6-7-13)11(2)12(16)15-8-4-5-9-15/h11H,3-10,13H2,1-2H3
InChIKeyVYBXIBFWWJGQMT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds6

About 2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43137255) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43137255
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCN(CCCN)C(C)C(=O)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-14(10-6-7-13)11(2)12(16)15-8-4-5-9-15/h11H,3-10,13H2,1-2H3
InChIKeyVYBXIBFWWJGQMT-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[3-aminopropyl(ethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 43137254
2-[3-aminopropyl(benzyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107367919
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010652
2-[(3-amino-2-methylpropyl)-ethylamino]-1-(azepan-1-yl)propan-1-one
CID 54987810
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 3064207
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79156152
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79662316
2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63287403
2-[2-aminoethyl(propan-2-yl)amino]-1-(azepan-1-yl)propan-1-one
CID 61350499
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 43137255) is 2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCN(CCCN)C(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is VYBXIBFWWJGQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-14(10-6-7-13)11(2)12(16)15-8-4-5-9-15/h11H,3-10,13H2,1-2H3.
What are the key properties of 2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43137255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).