2,6-diamino-1-pyrrolidin-1-ylhexan-1-one

C10H21N3O — CID 10219838

IUPAC2,6-diamino-1-pyrrolidin-1-ylhexan-1-one
SMILESNCCCCC(N)C(=O)N1CCCC1
InChIInChI=1S/C10H21N3O/c11-6-2-1-5-9(12)10(14)13-7-3-4-8-13/h9H,1-8,11-12H2
InChIKeyNERFQQPUBDASEO-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.07
Rot. Bonds5

About 2,6-diamino-1-pyrrolidin-1-ylhexan-1-one

2,6-diamino-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 10219838) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,6-diamino-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name2,6-diamino-1-pyrrolidin-1-ylhexan-1-one
PubChem CID10219838
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2,6-diamino-1-pyrrolidin-1-ylhexan-1-one
SMILESNCCCCC(N)C(=O)N1CCCC1
InChIInChI=1S/C10H21N3O/c11-6-2-1-5-9(12)10(14)13-7-3-4-8-13/h9H,1-8,11-12H2
InChIKeyNERFQQPUBDASEO-UHFFFAOYSA-N
XLogP0.07
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.07
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

(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
((R)-1-((S)-2,6-Diaminohexanoyl)pyrrolidin-2-yl)boronic acid
CID 10538170
(2S)-aminobutyryl-L-prolinamide
CID 11579307
L-norleucyl-L-prolinamide
CID 11615534
L-norvalyl-L-prolinamide
CID 11687141
(S)-pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 13578534
Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073
(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
Lys-Pro-CN
CID 11481506
(2R)-1-acetyl-N-methylpyrrolidine-2-carboxamide
CID 45116029

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 2,6-diamino-1-pyrrolidin-1-ylhexan-1-one (CID 10219838) is 2,6-diamino-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 2,6-diamino-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 2,6-diamino-1-pyrrolidin-1-ylhexan-1-one is NCCCCC(N)C(=O)N1CCCC1.
What is the InChIKey of 2,6-diamino-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is NERFQQPUBDASEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-6-2-1-5-9(12)10(14)13-7-3-4-8-13/h9H,1-8,11-12H2.
What are the key properties of 2,6-diamino-1-pyrrolidin-1-ylhexan-1-one?
2,6-diamino-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 199.30 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 10219838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).