tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate

C15H30N2O3 — CID 103846759

IUPACtert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCNC1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-5-9-17(14(18)20-15(2,3)4)10-8-16-13-6-11-19-12-7-13/h13,16H,5-12H2,1-4H3
InChIKeySMTJAFWLCMUHHT-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.40
Rot. Bonds6

About tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate

tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate (PubChem CID 103846759) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
PubChem CID103846759
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCNC1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-5-9-17(14(18)20-15(2,3)4)10-8-16-13-6-11-19-12-7-13/h13,16H,5-12H2,1-4H3
InChIKeySMTJAFWLCMUHHT-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
CID 103894802
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate
CID 107246107
tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
CID 107246252
tert-butyl N-[2-(cyclohexylmethylamino)ethyl]-N-propylcarbamate
CID 107246090
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate
CID 107257085
tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
CID 107245484
tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
CID 103920837
tert-butyl N-(2-methoxyethyl)-N-[2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107256930
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345
tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-N-propylcarbamate
CID 109399327

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate (CID 103846759) is tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate is CCCN(CCNC1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate?
The InChIKey is SMTJAFWLCMUHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-9-17(14(18)20-15(2,3)4)10-8-16-13-6-11-19-12-7-13/h13,16H,5-12H2,1-4H3.
What are the key properties of tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate?
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate has a molecular weight of 286.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate is sourced from PubChem (CID 103846759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).