6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one

C16H32N2O5 — CID 4861310

IUPAC6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C16H32N2O5/c17-5-3-1-2-4-16(19)18-6-8-20-10-12-22-14-15-23-13-11-21-9-7-18/h1-15,17H2
InChIKeyKIPCZRLECLUYNM-UHFFFAOYSA-N
MW332.44 g/mol
LogP0.41
Rot. Bonds5

About 6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one

6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one (PubChem CID 4861310) has the molecular formula C16H32N2O5 and a molecular weight of 332.44 g/mol. Its IUPAC name is 6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
PubChem CID4861310
Molecular FormulaC16H32N2O5
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Name6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C16H32N2O5/c17-5-3-1-2-4-16(19)18-6-8-20-10-12-22-14-15-23-13-11-21-9-7-18/h1-15,17H2
InChIKeyKIPCZRLECLUYNM-UHFFFAOYSA-N
XLogP0.41
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-bis(4-amino-1-oxobutyl)-
CID 3680242
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride
CID 11487772
N-[2-[2-[[fluoro-[2-[2-[[fluoro(hexyl)amino]methoxy]ethoxy]ethyl]amino]methoxy]ethoxy]ethyl]pentanamide
CID 129026869
4,13-Di-(n-decanoyl)-1,7,10,16-tetraoxa-4,13-diazacyclooctadecane
CID 537315
1,8-Diaza-11,14-dioxacyclohexadeca-2,7-dione
CID 121012640
4-Amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-1-one
CID 3088120
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide
CID 11487773
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N,N'-bis[2-(2-hydroxyethoxy)ethyl]pentadecanediamide
CID 9824837
N,N'-bis[2-(2-hydroxyethoxy)ethyl]tridecanediamide
CID 9844936
N,N'-bis[2-(2-hydroxyethoxy)ethyl]dodecanediamide
CID 9865944
N,N'-bis[2-(2-hydroxyethoxy)ethyl]icosanediamide
CID 9871220

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one (CID 4861310) is 6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one is NCCCCCC(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of 6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one?
The InChIKey is KIPCZRLECLUYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O5/c17-5-3-1-2-4-16(19)18-6-8-20-10-12-22-14-15-23-13-11-21-9-7-18/h1-15,17H2.
What are the key properties of 6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one?
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one has a molecular weight of 332.44 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one is sourced from PubChem (CID 4861310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).