2-(2-methylpropylamino)ethyl N-ethylcarbamate

C9H20N2O2 — CID 138728445

IUPAC2-(2-methylpropylamino)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCNCC(C)C
InChIInChI=1S/C9H20N2O2/c1-4-11-9(12)13-6-5-10-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyNUDQLAVANOVOGB-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.98
Rot. Bonds6

About 2-(2-methylpropylamino)ethyl N-ethylcarbamate

2-(2-methylpropylamino)ethyl N-ethylcarbamate (PubChem CID 138728445) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2-methylpropylamino)ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-(2-methylpropylamino)ethyl N-ethylcarbamate
PubChem CID138728445
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-(2-methylpropylamino)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCNCC(C)C
InChIInChI=1S/C9H20N2O2/c1-4-11-9(12)13-6-5-10-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyNUDQLAVANOVOGB-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.98
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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Related Compounds

2-(2-methylpropylamino)ethyl 2-methylpropanoate
CID 137470797
3-(2-methylpropylamino)propyl N-(2-iodopropyl)carbamate
CID 166733434
propyl N-(2-methylpropyl)carbamate
CID 91192078
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
2-[2-(2-methylpropylamino)ethoxy]acetamide
CID 106235482
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
CID 87800399
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
azane;ethyl N-ethylcarbamate
CID 88547448
2-(2-methylpropylamino)ethylcarbamic acid
CID 90802590
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)ethyl N-ethylcarbamate?
The IUPAC name of 2-(2-methylpropylamino)ethyl N-ethylcarbamate (CID 138728445) is 2-(2-methylpropylamino)ethyl N-ethylcarbamate.
What is the SMILES notation for 2-(2-methylpropylamino)ethyl N-ethylcarbamate?
The canonical SMILES for 2-(2-methylpropylamino)ethyl N-ethylcarbamate is CCNC(=O)OCCNCC(C)C.
What is the InChIKey of 2-(2-methylpropylamino)ethyl N-ethylcarbamate?
The InChIKey is NUDQLAVANOVOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-11-9(12)13-6-5-10-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-(2-methylpropylamino)ethyl N-ethylcarbamate?
2-(2-methylpropylamino)ethyl N-ethylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)ethyl N-ethylcarbamate is sourced from PubChem (CID 138728445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).