tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate

C10H22N2O3 — CID 59224684

IUPACtert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCCO
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12-6-4-5-11-7-8-13/h11,13H,4-8H2,1-3H3,(H,12,14)
InChIKeySMTBJXYPIMMLPA-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.48
Rot. Bonds6

About tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate

tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate (PubChem CID 59224684) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate
PubChem CID59224684
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCCO
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12-6-4-5-11-7-8-13/h11,13H,4-8H2,1-3H3,(H,12,14)
InChIKeySMTBJXYPIMMLPA-UHFFFAOYSA-N
XLogP0.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxyethyl)carbamate
CID 2733206
tert-butyl N-(3-hydroxypropyl)carbamate
CID 3838134
1,1-Dimethylethyl N-((1S)-2-hydroxy-1-methylethyl)carbamate
CID 7023103
tert-butyl N-(2-hydroxypropyl)carbamate
CID 9920508
tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
CID 11263954
tert-butyl N-((2R)-1-hydroxypropan-2-yl)carbamate
CID 13200309
2-Hydroxypropyl (3-(bis(2-hydroxyethyl)amino)propyl)carbamate
CID 170901253
1,1-Dimethylethyl N-(3-((3-aminopropyl)amino)propyl)carbamate
CID 2786632
N-Boc-(S)-1-amino-2-propanol
CID 11789722
N-Boc-DL-2-amino-1-butanol
CID 15339785
tert-butyl N-(1-hydroxypropan-2-yl)carbamate
CID 545701
tert-butyl N-(2-hydroxy-3-methylbutyl)carbamate
CID 9815621

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate (CID 59224684) is tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate is CC(C)(C)OC(=O)NCCCNCCO.
What is the InChIKey of tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate?
The InChIKey is SMTBJXYPIMMLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12-6-4-5-11-7-8-13/h11,13H,4-8H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate?
tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate has a molecular weight of 218.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-hydroxyethylamino)propyl]carbamate is sourced from PubChem (CID 59224684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).