butyl N-amino-N-ethylcarbamate

C7H16N2O2 — CID 87167247

IUPACbutyl N-amino-N-ethylcarbamate
SMILESCCCCOC(=O)N(N)CC
InChIInChI=1S/C7H16N2O2/c1-3-5-6-11-7(10)9(8)4-2/h3-6,8H2,1-2H3
InChIKeyKLUCQXWNJXNNEZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.12
Rot. Bonds4

About butyl N-amino-N-ethylcarbamate

butyl N-amino-N-ethylcarbamate (PubChem CID 87167247) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is butyl N-amino-N-ethylcarbamate.

Molecular Properties

Compound Namebutyl N-amino-N-ethylcarbamate
PubChem CID87167247
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Namebutyl N-amino-N-ethylcarbamate
SMILESCCCCOC(=O)N(N)CC
InChIInChI=1S/C7H16N2O2/c1-3-5-6-11-7(10)9(8)4-2/h3-6,8H2,1-2H3
InChIKeyKLUCQXWNJXNNEZ-UHFFFAOYSA-N
XLogP1.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butyl N,N-bis(sulfanyl)carbamate;nickel
CID 88645134
butyl N-ethyl-N-(methylamino)carbamate
CID 87167389
butyl N-carbamothioyl-N-ethylcarbamate
CID 174602935
pentyl N,N-dimethylcarbamate
CID 18534522
butyl N,N-dicyclohexylcarbamate
CID 13416417
dotriacontyl N,N-dimethylcarbamate
CID 175802283
heptyl N,N-dimethylcarbamate
CID 91542338
butyl N-butoxycarbonyl-N-(butoxycarbonylamino)carbamate
CID 141225317
butyl hydrogen carbonate
CID 157271096
heptadecyl 2-[butoxycarbonyl(ethyl)amino]acetate
CID 91723067
hexyl N,N-bis(sulfanyl)carbamate
CID 57100182
butyl N-amino-N-(6-aminohexanoyl)carbamate
CID 87896509

Frequently Asked Questions

What is the IUPAC name of butyl N-amino-N-ethylcarbamate?
The IUPAC name of butyl N-amino-N-ethylcarbamate (CID 87167247) is butyl N-amino-N-ethylcarbamate.
What is the SMILES notation for butyl N-amino-N-ethylcarbamate?
The canonical SMILES for butyl N-amino-N-ethylcarbamate is CCCCOC(=O)N(N)CC.
What is the InChIKey of butyl N-amino-N-ethylcarbamate?
The InChIKey is KLUCQXWNJXNNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-5-6-11-7(10)9(8)4-2/h3-6,8H2,1-2H3.
What are the key properties of butyl N-amino-N-ethylcarbamate?
butyl N-amino-N-ethylcarbamate has a molecular weight of 160.22 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-amino-N-ethylcarbamate is sourced from PubChem (CID 87167247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).