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

C15H30N2O4 — CID 107257139

IUPACtert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate
SMILESCC(O)CN(CCNCC1CCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-12(18)11-17(14(19)21-15(2,3)4)8-7-16-10-13-6-5-9-20-13/h12-13,16,18H,5-11H2,1-4H3
InChIKeySZWZIGODHYVNOZ-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.37
Rot. Bonds7

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

tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate (PubChem CID 107257139) has the molecular formula C15H30N2O4 and a molecular weight of 302.41 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate
PubChem CID107257139
Molecular FormulaC15H30N2O4
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Nametert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate
SMILESCC(O)CN(CCNCC1CCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O4/c1-12(18)11-17(14(19)21-15(2,3)4)8-7-16-10-13-6-5-9-20-13/h12-13,16,18H,5-11H2,1-4H3
InChIKeySZWZIGODHYVNOZ-UHFFFAOYSA-N
XLogP1.37
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate
CID 107257085
tert-butyl N-[2-[(5-ethylfuran-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257164
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257285
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
tert-butyl N-(2-hydroxypropyl)-N-[2-(thiolan-3-ylamino)ethyl]carbamate
CID 107257189
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
CID 110677926
tert-butyl N-(2-hydroxypropyl)-N-[2-[(1-methylpyrrolidin-3-yl)amino]ethyl]carbamate
CID 107257034
tert-butyl N-[2-[(4,5-dibromothiophen-2-yl)methylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257292
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257185

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate (CID 107257139) is tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate is CC(O)CN(CCNCC1CCCO1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate?
The InChIKey is SZWZIGODHYVNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-12(18)11-17(14(19)21-15(2,3)4)8-7-16-10-13-6-5-9-20-13/h12-13,16,18H,5-11H2,1-4H3.
What are the key properties of tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate?
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate has a molecular weight of 302.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 107257139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).