2-(propan-2-ylamino)ethyl carbamate

C6H14N2O2 — CID 79338127

IUPAC2-(propan-2-ylamino)ethyl carbamate
SMILESCC(C)NCCOC(N)=O
InChIInChI=1S/C6H14N2O2/c1-5(2)8-3-4-10-6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9)
InChIKeyJDZLAVQTFFUPLI-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.08
Rot. Bonds4

About 2-(propan-2-ylamino)ethyl carbamate

2-(propan-2-ylamino)ethyl carbamate (PubChem CID 79338127) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(propan-2-ylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(propan-2-ylamino)ethyl carbamate
PubChem CID79338127
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-(propan-2-ylamino)ethyl carbamate
SMILESCC(C)NCCOC(N)=O
InChIInChI=1S/C6H14N2O2/c1-5(2)8-3-4-10-6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9)
InChIKeyJDZLAVQTFFUPLI-UHFFFAOYSA-N
XLogP0.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.08
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-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628
2-[2-(propan-2-ylamino)ethoxy]propanamide
CID 62344392
4-(2-carbamoyloxyethylamino)pentanoic acid
CID 83209314
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
2-[1-(1-methylcyclopropyl)ethylamino]ethyl carbamate
CID 83211737
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
2-(2-sulfanylpropanoylamino)ethyl carbamate
CID 107034140
2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
CID 83210164

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)ethyl carbamate?
The IUPAC name of 2-(propan-2-ylamino)ethyl carbamate (CID 79338127) is 2-(propan-2-ylamino)ethyl carbamate.
What is the SMILES notation for 2-(propan-2-ylamino)ethyl carbamate?
The canonical SMILES for 2-(propan-2-ylamino)ethyl carbamate is CC(C)NCCOC(N)=O.
What is the InChIKey of 2-(propan-2-ylamino)ethyl carbamate?
The InChIKey is JDZLAVQTFFUPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-5(2)8-3-4-10-6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9).
What are the key properties of 2-(propan-2-ylamino)ethyl carbamate?
2-(propan-2-ylamino)ethyl carbamate has a molecular weight of 146.19 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)ethyl carbamate is sourced from PubChem (CID 79338127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).