2-[6-(methylamino)hexylcarbamoyloxy]propyl formate

C12H24N2O4 — CID 170083157

IUPAC2-[6-(methylamino)hexylcarbamoyloxy]propyl formate
SMILESCNCCCCCCNC(=O)OC(C)COC=O
InChIInChI=1S/C12H24N2O4/c1-11(9-17-10-15)18-12(16)14-8-6-4-3-5-7-13-2/h10-11,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyKXJXVDXAJUYKJG-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.05
Rot. Bonds11

About 2-[6-(methylamino)hexylcarbamoyloxy]propyl formate

2-[6-(methylamino)hexylcarbamoyloxy]propyl formate (PubChem CID 170083157) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[6-(methylamino)hexylcarbamoyloxy]propyl formate.

Molecular Properties

Compound Name2-[6-(methylamino)hexylcarbamoyloxy]propyl formate
PubChem CID170083157
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[6-(methylamino)hexylcarbamoyloxy]propyl formate
SMILESCNCCCCCCNC(=O)OC(C)COC=O
InChIInChI=1S/C12H24N2O4/c1-11(9-17-10-15)18-12(16)14-8-6-4-3-5-7-13-2/h10-11,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyKXJXVDXAJUYKJG-UHFFFAOYSA-N
XLogP1.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate
CID 154948695
1-(methylamino)propan-2-yl N-butylcarbamate
CID 79338018
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
2-methylpropyl N-[3-(methylamino)propyl]carbamate
CID 43602360
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
CID 155417435
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555611
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
1-(2-methylprop-2-enoyloxy)propan-2-yl 8-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]octanoate
CID 157064123
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
1-phenoxypropan-2-yl N-[2-(methylamino)ethyl]carbamate
CID 118910868

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)hexylcarbamoyloxy]propyl formate?
The IUPAC name of 2-[6-(methylamino)hexylcarbamoyloxy]propyl formate (CID 170083157) is 2-[6-(methylamino)hexylcarbamoyloxy]propyl formate.
What is the SMILES notation for 2-[6-(methylamino)hexylcarbamoyloxy]propyl formate?
The canonical SMILES for 2-[6-(methylamino)hexylcarbamoyloxy]propyl formate is CNCCCCCCNC(=O)OC(C)COC=O.
What is the InChIKey of 2-[6-(methylamino)hexylcarbamoyloxy]propyl formate?
The InChIKey is KXJXVDXAJUYKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-11(9-17-10-15)18-12(16)14-8-6-4-3-5-7-13-2/h10-11,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 2-[6-(methylamino)hexylcarbamoyloxy]propyl formate?
2-[6-(methylamino)hexylcarbamoyloxy]propyl formate has a molecular weight of 260.33 g/mol, XLogP of 1.05, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)hexylcarbamoyloxy]propyl formate is sourced from PubChem (CID 170083157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).