2-(2-aminoethylamino)-1-piperidin-1-ylethanone

C9H19N3O — CID 62140335

IUPAC2-(2-aminoethylamino)-1-piperidin-1-ylethanone
SMILESNCCNCC(=O)N1CCCCC1
InChIInChI=1S/C9H19N3O/c10-4-5-11-8-9(13)12-6-2-1-3-7-12/h11H,1-8,10H2
InChIKeyNUQXIKLXHKYVBB-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.45
Rot. Bonds4

About 2-(2-aminoethylamino)-1-piperidin-1-ylethanone

2-(2-aminoethylamino)-1-piperidin-1-ylethanone (PubChem CID 62140335) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-aminoethylamino)-1-piperidin-1-ylethanone
PubChem CID62140335
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(2-aminoethylamino)-1-piperidin-1-ylethanone
SMILESNCCNCC(=O)N1CCCCC1
InChIInChI=1S/C9H19N3O/c10-4-5-11-8-9(13)12-6-2-1-3-7-12/h11H,1-8,10H2
InChIKeyNUQXIKLXHKYVBB-UHFFFAOYSA-N
XLogP-0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464
1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone
CID 63226480
N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide
CID 113406276
2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 62273146
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-piperidin-1-ylethanone
CID 106310504
2-(5-methylsulfanylpentylamino)-1-piperidin-1-ylethanone
CID 114127342
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 60671852
1-(azepan-1-yl)-2-(3-hydroxypentylamino)ethanone
CID 113497568
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 104685586
7-amino-N-(2-oxo-2-piperidin-1-ylethyl)heptanamide
CID 115597328

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-aminoethylamino)-1-piperidin-1-ylethanone (CID 62140335) is 2-(2-aminoethylamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-aminoethylamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-aminoethylamino)-1-piperidin-1-ylethanone is NCCNCC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-aminoethylamino)-1-piperidin-1-ylethanone?
The InChIKey is NUQXIKLXHKYVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-4-5-11-8-9(13)12-6-2-1-3-7-12/h11H,1-8,10H2.
What are the key properties of 2-(2-aminoethylamino)-1-piperidin-1-ylethanone?
2-(2-aminoethylamino)-1-piperidin-1-ylethanone has a molecular weight of 185.27 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 62140335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).