tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate

C12H26N2O3 — CID 107257153

IUPACtert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
SMILESCCNCCN(CC(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-6-13-7-8-14(9-10(2)15)11(16)17-12(3,4)5/h10,13,15H,6-9H2,1-5H3
InChIKeyMYGLSBHPNPIKLB-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.21
Rot. Bonds6

About tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate

tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate (PubChem CID 107257153) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
PubChem CID107257153
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
SMILESCCNCCN(CC(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-6-13-7-8-14(9-10(2)15)11(16)17-12(3,4)5/h10,13,15H,6-9H2,1-5H3
InChIKeyMYGLSBHPNPIKLB-UHFFFAOYSA-N
XLogP1.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-hydroxypropyl)-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 107257320
tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257164
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257185
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 107257059
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate
CID 107257139
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate
CID 107257085
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257285
ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 91296592
tert-butyl N-[2-[(4-chlorothiophen-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257286
tert-butyl N-[2-[(4,5-dibromothiophen-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257292
tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 107257062

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate (CID 107257153) is tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate is CCNCCN(CC(C)O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate?
The InChIKey is MYGLSBHPNPIKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-6-13-7-8-14(9-10(2)15)11(16)17-12(3,4)5/h10,13,15H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate?
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate has a molecular weight of 246.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate is sourced from PubChem (CID 107257153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).