2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone

C13H27N3O — CID 63761864

IUPAC2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
SMILESCCCCN(CCN)CC(=O)N1CCCCC1
InChIInChI=1S/C13H27N3O/c1-2-3-8-15(11-7-14)12-13(17)16-9-5-4-6-10-16/h2-12,14H2,1H3
InChIKeyLYPYSTBNAZRMNO-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.06
Rot. Bonds7

About 2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone

2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone (PubChem CID 63761864) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
PubChem CID63761864
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
SMILESCCCCN(CCN)CC(=O)N1CCCCC1
InChIInChI=1S/C13H27N3O/c1-2-3-8-15(11-7-14)12-13(17)16-9-5-4-6-10-16/h2-12,14H2,1H3
InChIKeyLYPYSTBNAZRMNO-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[2-aminoethyl(butyl)amino]-1-morpholin-4-ylethanone
CID 63758934
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(azepan-1-yl)ethanone
CID 107494809
1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide
CID 60689284
2-[bis(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60686615
1-[2-aminoethyl(butyl)amino]propan-2-one
CID 134504984
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
4-[2-(didodecylamino)acetyl]piperazine-1-carboxylic acid
CID 129286600
N-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148243
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
3-[2-(dibutylamino)ethylsulfanyl]-1-piperidin-1-ylpropan-1-one
CID 165003526

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone (CID 63761864) is 2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone is CCCCN(CCN)CC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is LYPYSTBNAZRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-3-8-15(11-7-14)12-13(17)16-9-5-4-6-10-16/h2-12,14H2,1H3.
What are the key properties of 2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone?
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 241.38 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 63761864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).