N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine

C16H34NO2P — CID 14709745

IUPACN-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine
SMILESCCCCOP(OCCCC)N(C=C(C)C)C(C)(C)C
InChIInChI=1S/C16H34NO2P/c1-8-10-12-18-20(19-13-11-9-2)17(14-15(3)4)16(5,6)7/h14H,8-13H2,1-7H3
InChIKeyJNGXXUPGSKOQCG-UHFFFAOYSA-N
MW303.43 g/mol
LogP5.87
Rot. Bonds10

About N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine

N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine (PubChem CID 14709745) has the molecular formula C16H34NO2P and a molecular weight of 303.43 g/mol. Its IUPAC name is N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine
PubChem CID14709745
Molecular FormulaC16H34NO2P
Molecular Weight303.43 g/mol
Exact Mass303.23
IUPAC NameN-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine
SMILESCCCCOP(OCCCC)N(C=C(C)C)C(C)(C)C
InChIInChI=1S/C16H34NO2P/c1-8-10-12-18-20(19-13-11-9-2)17(14-15(3)4)16(5,6)7/h14H,8-13H2,1-7H3
InChIKeyJNGXXUPGSKOQCG-UHFFFAOYSA-N
XLogP5.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.43
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dibutoxyphosphanyl-N-ethylethanamine
CID 12614123
N-dibutoxyphosphanyl-N-ethylpropan-2-amine
CID 89224647
tetrakis(dibutyl hydrogen phosphite);silane
CID 175328252
dibutyl hydrogen phosphite;phosphorous acid
CID 88648426
pentyl dihydrogen phosphite;zinc
CID 88839337
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
dibutoxy(fluoro)phosphane
CID 15373704
dibutoxy(chloro)phosphane
CID 4231195
azane;hexyl dihydrogen phosphite
CID 173357133
(E)-1-butoxy-2-methylbut-2-ene
CID 5366207
chlororuthenium;tris(tributyl phosphite)
CID 173315437
3,4-dibutoxyhexa-2,4-diene
CID 141019728

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine?
The IUPAC name of N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine (CID 14709745) is N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine.
What is the SMILES notation for N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine?
The canonical SMILES for N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine is CCCCOP(OCCCC)N(C=C(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine?
The InChIKey is JNGXXUPGSKOQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34NO2P/c1-8-10-12-18-20(19-13-11-9-2)17(14-15(3)4)16(5,6)7/h14H,8-13H2,1-7H3.
What are the key properties of N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine?
N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine has a molecular weight of 303.43 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-dibutoxyphosphanyl-2-methylprop-1-en-1-amine is sourced from PubChem (CID 14709745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).