N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine

C11H26NO3P — CID 15266355

IUPACN-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine
SMILESCCCCNC(C)(C)P(=O)(OCC)OCC
InChIInChI=1S/C11H26NO3P/c1-6-9-10-12-11(4,5)16(13,14-7-2)15-8-3/h12H,6-10H2,1-5H3
InChIKeyYCPTXSMGOZRACH-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.38
Rot. Bonds9

About N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine

N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine (PubChem CID 15266355) has the molecular formula C11H26NO3P and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine
PubChem CID15266355
Molecular FormulaC11H26NO3P
Molecular Weight251.31 g/mol
Exact Mass251.17
IUPAC NameN-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine
SMILESCCCCNC(C)(C)P(=O)(OCC)OCC
InChIInChI=1S/C11H26NO3P/c1-6-9-10-12-11(4,5)16(13,14-7-2)15-8-3/h12H,6-10H2,1-5H3
InChIKeyYCPTXSMGOZRACH-UHFFFAOYSA-N
XLogP3.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-diethoxyphosphoryl-N-[3-[[5,11,17,23-tetratert-butyl-26,27,28-tris[3-(2-diethoxyphosphorylpropan-2-ylamino)propoxy]-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]propyl]propan-2-amine;propanedioic acid
CID 139243922
[3-(butylamino)-3-methylbutyl] dihydrogen phosphate
CID 58758792
N-(diethoxyphosphorylmethyl)butan-1-amine
CID 2189462
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
1-(butylamino)-1-ethoxyethanol
CID 158145047
(1-bromo-1-diethoxyphosphorylhexyl)-trimethylsilane
CID 101056874
butyl 2-diethoxyphosphoryl-2-methylpropanoate
CID 89247913
2-[5-(2-phosphonopropan-2-ylamino)pentylamino]propan-2-ylphosphonic acid
CID 23422851
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
2-aminobutanedioic acid;2-diethoxyphosphoryl-N-[3-[[5,11,17,23-tetratert-butyl-26,27,28-tris[3-(2-diethoxyphosphorylpropan-2-ylamino)propoxy]-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]propyl]propan-2-amine
CID 139243912
butylaminomethyl ethyl hydrogen phosphate
CID 156783550
tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
CID 71317741

Frequently Asked Questions

What is the IUPAC name of N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine?
The IUPAC name of N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine (CID 15266355) is N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine.
What is the SMILES notation for N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine?
The canonical SMILES for N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine is CCCCNC(C)(C)P(=O)(OCC)OCC.
What is the InChIKey of N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine?
The InChIKey is YCPTXSMGOZRACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO3P/c1-6-9-10-12-11(4,5)16(13,14-7-2)15-8-3/h12H,6-10H2,1-5H3.
What are the key properties of N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine?
N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine has a molecular weight of 251.31 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 15266355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).