N'-(6-aminohexyl)-N-methylbutanediamide

C11H23N3O2 — CID 155220266

IUPACN'-(6-aminohexyl)-N-methylbutanediamide
SMILESCNC(=O)CCC(=O)NCCCCCCN
InChIInChI=1S/C11H23N3O2/c1-13-10(15)6-7-11(16)14-9-5-3-2-4-8-12/h2-9,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyJKXLHZMIMADPQX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.15
Rot. Bonds9

About N'-(6-aminohexyl)-N-methylbutanediamide

N'-(6-aminohexyl)-N-methylbutanediamide (PubChem CID 155220266) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-(6-aminohexyl)-N-methylbutanediamide.

Molecular Properties

Compound NameN'-(6-aminohexyl)-N-methylbutanediamide
PubChem CID155220266
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-(6-aminohexyl)-N-methylbutanediamide
SMILESCNC(=O)CCC(=O)NCCCCCCN
InChIInChI=1S/C11H23N3O2/c1-13-10(15)6-7-11(16)14-9-5-3-2-4-8-12/h2-9,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyJKXLHZMIMADPQX-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
CID 169247906
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
N'-heptyl-N-methylhexanediamide;hexane-1,6-diamine;hexanedioic acid;hydride
CID 161372302
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
N-(4-aminobutyl)tetracosanamide
CID 171117181
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898

Frequently Asked Questions

What is the IUPAC name of N'-(6-aminohexyl)-N-methylbutanediamide?
The IUPAC name of N'-(6-aminohexyl)-N-methylbutanediamide (CID 155220266) is N'-(6-aminohexyl)-N-methylbutanediamide.
What is the SMILES notation for N'-(6-aminohexyl)-N-methylbutanediamide?
The canonical SMILES for N'-(6-aminohexyl)-N-methylbutanediamide is CNC(=O)CCC(=O)NCCCCCCN.
What is the InChIKey of N'-(6-aminohexyl)-N-methylbutanediamide?
The InChIKey is JKXLHZMIMADPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-13-10(15)6-7-11(16)14-9-5-3-2-4-8-12/h2-9,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(6-aminohexyl)-N-methylbutanediamide?
N'-(6-aminohexyl)-N-methylbutanediamide has a molecular weight of 229.32 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-aminohexyl)-N-methylbutanediamide is sourced from PubChem (CID 155220266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).