tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate

C10H22N2O2 — CID 59438683

IUPACtert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
SMILESCCN[C@@H](C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-6-11-8(2)7-12-9(13)14-10(3,4)5/h8,11H,6-7H2,1-5H3,(H,12,13)/t8-/m0/s1
InChIKeyYSCPZLXKQPASKT-QMMMGPOBSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds4

About tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate

tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate (PubChem CID 59438683) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
PubChem CID59438683
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
SMILESCCN[C@@H](C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-6-11-8(2)7-12-9(13)14-10(3,4)5/h8,11H,6-7H2,1-5H3,(H,12,13)/t8-/m0/s1
InChIKeyYSCPZLXKQPASKT-QMMMGPOBSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate
CID 107248510
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
tert-butyl N-[3-cyano-3-(ethylamino)-2-methylpropyl]carbamate
CID 130604565

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate (CID 59438683) is tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate is CCN[C@@H](C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate?
The InChIKey is YSCPZLXKQPASKT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-6-11-8(2)7-12-9(13)14-10(3,4)5/h8,11H,6-7H2,1-5H3,(H,12,13)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate?
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate is sourced from PubChem (CID 59438683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).