6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine

C14H32N4O2 — CID 169247906

IUPAC6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
SMILESCN.CNC(=O)CCCCCNC(=O)CCCCCN
InChIInChI=1S/C13H27N3O2.CH5N/c1-15-12(17)8-5-3-7-11-16-13(18)9-4-2-6-10-14;1-2/h2-11,14H2,1H3,(H,15,17)(H,16,18);2H2,1H3
InChIKeyMOGIJZLLGQABOH-UHFFFAOYSA-N
MW288.44 g/mol
LogP0.50
Rot. Bonds11

About 6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine

6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine (PubChem CID 169247906) has the molecular formula C14H32N4O2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine.

Molecular Properties

Compound Name6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
PubChem CID169247906
Molecular FormulaC14H32N4O2
Molecular Weight288.44 g/mol
Exact Mass288.25
IUPAC Name6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
SMILESCN.CNC(=O)CCCCCNC(=O)CCCCCN
InChIInChI=1S/C13H27N3O2.CH5N/c1-15-12(17)8-5-3-7-11-16-13(18)9-4-2-6-10-14;1-2/h2-11,14H2,1H3,(H,15,17)(H,16,18);2H2,1H3
InChIKeyMOGIJZLLGQABOH-UHFFFAOYSA-N
XLogP0.50
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-aminohexyl)-N-methylbutanediamide
CID 155220266
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N'-heptyl-N-methylhexanediamide;hexane-1,6-diamine;hexanedioic acid;hydride
CID 161372302
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(6-aminohexyl)dodecanamide
CID 13030555
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(9-aminononyl)nonanamide
CID 154091260
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine?
The IUPAC name of 6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine (CID 169247906) is 6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine.
What is the SMILES notation for 6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine?
The canonical SMILES for 6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine is CN.CNC(=O)CCCCCNC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine?
The InChIKey is MOGIJZLLGQABOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.CH5N/c1-15-12(17)8-5-3-7-11-16-13(18)9-4-2-6-10-14;1-2/h2-11,14H2,1H3,(H,15,17)(H,16,18);2H2,1H3.
What are the key properties of 6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine?
6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine has a molecular weight of 288.44 g/mol, XLogP of 0.50, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine is sourced from PubChem (CID 169247906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).