tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate

C15H30N2O3 — CID 107242741

IUPACtert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate
SMILESCCN(CCCNCC1(C)COC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-17(13(18)20-14(2,3)4)9-7-8-16-10-15(5)11-19-12-15/h16H,6-12H2,1-5H3
InChIKeyJLQXDGCXNIEMIQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.26
Rot. Bonds7

About tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate

tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate (PubChem CID 107242741) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate
PubChem CID107242741
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate
SMILESCCN(CCCNCC1(C)COC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-17(13(18)20-14(2,3)4)9-7-8-16-10-15(5)11-19-12-15/h16H,6-12H2,1-5H3
InChIKeyJLQXDGCXNIEMIQ-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]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-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate
CID 107445850
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate
CID 107242592
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
tert-butyl N-[3-(diethylamino)propyl]-N-ethylcarbamate
CID 102998322
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N,N-bis[3-(3-aminopropylamino)propyl]carbamate
CID 102240584
tert-butyl N-ethyl-N-[3-[(2-methylthiolan-3-yl)amino]propyl]carbamate
CID 102672059
tert-butyl N-ethyl-N-[3-[(2-methylcyclohexyl)amino]propyl]carbamate
CID 107242659
tert-butyl N-[3-[(2,3-dimethylphenyl)methylamino]propyl]-N-ethylcarbamate
CID 107242777
tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate
CID 103913902

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate (CID 107242741) is tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate is CCN(CCCNCC1(C)COC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate?
The InChIKey is JLQXDGCXNIEMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-17(13(18)20-14(2,3)4)9-7-8-16-10-15(5)11-19-12-15/h16H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate?
tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-[(3-methyloxetan-3-yl)methylamino]propyl]carbamate is sourced from PubChem (CID 107242741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).