N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide

C12H26N2O2 — CID 20668946

IUPACN-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide
SMILESCCC(COC)NC(=O)CCCCCNC
InChIInChI=1S/C12H26N2O2/c1-4-11(10-16-3)14-12(15)8-6-5-7-9-13-2/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyDCPKUVJONZUHTP-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds10

About N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide

N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide (PubChem CID 20668946) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide
PubChem CID20668946
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide
SMILESCCC(COC)NC(=O)CCCCCNC
InChIInChI=1S/C12H26N2O2/c1-4-11(10-16-3)14-12(15)8-6-5-7-9-13-2/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyDCPKUVJONZUHTP-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide (CID 20668946) is N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide is CCC(COC)NC(=O)CCCCCNC.
What is the InChIKey of N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide?
The InChIKey is DCPKUVJONZUHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-11(10-16-3)14-12(15)8-6-5-7-9-13-2/h11,13H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide?
N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide has a molecular weight of 230.35 g/mol, XLogP of 1.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-6-(methylamino)hexanamide is sourced from PubChem (CID 20668946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).