ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate

C10H20N2O3 — CID 115889525

IUPACethyl N-[2-(oxan-3-ylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC1CCCOC1
InChIInChI=1S/C10H20N2O3/c1-2-15-10(13)12-6-5-11-9-4-3-7-14-8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyZQTDBAFISVBYOO-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.50
Rot. Bonds5

About ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate

ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate (PubChem CID 115889525) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(oxan-3-ylamino)ethyl]carbamate
PubChem CID115889525
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl N-[2-(oxan-3-ylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC1CCCOC1
InChIInChI=1S/C10H20N2O3/c1-2-15-10(13)12-6-5-11-9-4-3-7-14-8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyZQTDBAFISVBYOO-UHFFFAOYSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(oxan-3-ylamino)propanoate
CID 63363910
N-(2-ethoxyethyl)oxan-3-amine
CID 63363906
3-(oxan-3-ylamino)propanoic acid
CID 63363556
ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate
CID 108887945
methyl 2-(oxan-3-ylamino)acetate
CID 63364006
N-(2-methoxyethyl)-2-(oxan-3-ylamino)acetamide
CID 63363651
ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
2,2-dimethyl-3-(oxan-3-ylamino)propanamide
CID 115978805
4-(oxan-3-ylamino)butan-1-ol
CID 63363797
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
N,N-dimethyl-3-(oxolan-3-ylamino)propanamide
CID 63335526

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate (CID 115889525) is ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate is CCOC(=O)NCCNC1CCCOC1.
What is the InChIKey of ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate?
The InChIKey is ZQTDBAFISVBYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-15-10(13)12-6-5-11-9-4-3-7-14-8-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate?
ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(oxan-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 115889525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).