2-(6-aminohexylcarbamoyloxy)ethyl formate

C10H20N2O4 — CID 163268438

IUPAC2-(6-aminohexylcarbamoyloxy)ethyl formate
SMILESNCCCCCCNC(=O)OCCOC=O
InChIInChI=1S/C10H20N2O4/c11-5-3-1-2-4-6-12-10(14)16-8-7-15-9-13/h9H,1-8,11H2,(H,12,14)
InChIKeyAMIUSCSNRKYJBB-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.40
Rot. Bonds10

About 2-(6-aminohexylcarbamoyloxy)ethyl formate

2-(6-aminohexylcarbamoyloxy)ethyl formate (PubChem CID 163268438) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(6-aminohexylcarbamoyloxy)ethyl formate.

Molecular Properties

Compound Name2-(6-aminohexylcarbamoyloxy)ethyl formate
PubChem CID163268438
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-(6-aminohexylcarbamoyloxy)ethyl formate
SMILESNCCCCCCNC(=O)OCCOC=O
InChIInChI=1S/C10H20N2O4/c11-5-3-1-2-4-6-12-10(14)16-8-7-15-9-13/h9H,1-8,11H2,(H,12,14)
InChIKeyAMIUSCSNRKYJBB-UHFFFAOYSA-N
XLogP0.40
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.40
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-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
amino N-(6-aminohexyl)carbamate
CID 174870719
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
4-aminobutyl formate
CID 54484676
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
CID 155417435
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexylcarbamoyloxy)ethyl formate?
The IUPAC name of 2-(6-aminohexylcarbamoyloxy)ethyl formate (CID 163268438) is 2-(6-aminohexylcarbamoyloxy)ethyl formate.
What is the SMILES notation for 2-(6-aminohexylcarbamoyloxy)ethyl formate?
The canonical SMILES for 2-(6-aminohexylcarbamoyloxy)ethyl formate is NCCCCCCNC(=O)OCCOC=O.
What is the InChIKey of 2-(6-aminohexylcarbamoyloxy)ethyl formate?
The InChIKey is AMIUSCSNRKYJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c11-5-3-1-2-4-6-12-10(14)16-8-7-15-9-13/h9H,1-8,11H2,(H,12,14).
What are the key properties of 2-(6-aminohexylcarbamoyloxy)ethyl formate?
2-(6-aminohexylcarbamoyloxy)ethyl formate has a molecular weight of 232.28 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexylcarbamoyloxy)ethyl formate is sourced from PubChem (CID 163268438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).