tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate

C10H22NO2P — CID 145297430

IUPACtert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
SMILESCCCN(CCP)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22NO2P/c1-5-6-11(7-8-14)9(12)13-10(2,3)4/h5-8,14H2,1-4H3
InChIKeyXTNHEYGNYIMQPT-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.51
Rot. Bonds4

About tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate

tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate (PubChem CID 145297430) has the molecular formula C10H22NO2P and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
PubChem CID145297430
Molecular FormulaC10H22NO2P
Molecular Weight219.26 g/mol
Exact Mass219.14
IUPAC Nametert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
SMILESCCCN(CCP)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22NO2P/c1-5-6-11(7-8-14)9(12)13-10(2,3)4/h5-8,14H2,1-4H3
InChIKeyXTNHEYGNYIMQPT-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-(5-oxoheptyl)-N-propylcarbamate
CID 89128098
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
CID 103846720
tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
CID 122608338
tert-butyl N-(2-cyclobutyl-2-oxoethyl)-N-propylcarbamate
CID 165468562
tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide
CID 109377978
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
CID 170277244
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl N,N-bis(2-fluoroethyl)carbamate
CID 142420542
tert-butyl N-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]-N-propylcarbamate
CID 107246113
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate?
The IUPAC name of tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate (CID 145297430) is tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate?
The canonical SMILES for tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate is CCCN(CCP)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate?
The InChIKey is XTNHEYGNYIMQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO2P/c1-5-6-11(7-8-14)9(12)13-10(2,3)4/h5-8,14H2,1-4H3.
What are the key properties of tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate?
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate has a molecular weight of 219.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate is sourced from PubChem (CID 145297430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).