[[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium

C5H14N2OP+ — CID 146222811

IUPAC[[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium
SMILESC[C@H](CN)NC[P+](C)=O
InChIInChI=1S/C5H14N2OP/c1-5(3-6)7-4-9(2)8/h5,7H,3-4,6H2,1-2H3/q+1/t5-/m1/s1
InChIKeyNZSCCHSTRKWZTP-RXMQYKEDSA-N
MW149.15 g/mol
LogP0.34
Rot. Bonds4

About [[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium

[[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium (PubChem CID 146222811) has the molecular formula C5H14N2OP+ and a molecular weight of 149.15 g/mol. Its IUPAC name is [[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium.

Molecular Properties

Compound Name[[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium
PubChem CID146222811
Molecular FormulaC5H14N2OP+
Molecular Weight149.15 g/mol
Exact Mass149.08
IUPAC Name[[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium
SMILESC[C@H](CN)NC[P+](C)=O
InChIInChI=1S/C5H14N2OP/c1-5(3-6)7-4-9(2)8/h5,7H,3-4,6H2,1-2H3/q+1/t5-/m1/s1
InChIKeyNZSCCHSTRKWZTP-RXMQYKEDSA-N
XLogP0.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[dimethylamino-[(propan-2-ylamino)methyl]phosphoryl]-N,N'-dimethylethane-1,2-diamine
CID 57564633
dimethyl(oxo)phosphanium;N-methylpropan-2-amine
CID 91045104
N-(dimethylphosphorylmethyl)propan-2-amine
CID 122537109
(2R)-1-N-methyl-3-methylidenephosphanylpropane-1,2-diamine
CID 126635833
N'-dimethylphosphoryl-N-methylethane-1,2-diamine
CID 162723512
N-(phosphorosomethyl)propan-2-amine
CID 163417099
[2-Amino-3-(methylamino)butyl]-oxophosphanium;hydrochloride
CID 173210992
3-N-methyl-1-phosphorosobutane-2,3-diamine
CID 87989182

Frequently Asked Questions

What is the IUPAC name of [[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium?
The IUPAC name of [[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium (CID 146222811) is [[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium.
What is the SMILES notation for [[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium?
The canonical SMILES for [[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium is C[C@H](CN)NC[P+](C)=O.
What is the InChIKey of [[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium?
The InChIKey is NZSCCHSTRKWZTP-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H14N2OP/c1-5(3-6)7-4-9(2)8/h5,7H,3-4,6H2,1-2H3/q+1/t5-/m1/s1.
What are the key properties of [[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium?
[[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium has a molecular weight of 149.15 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-1-aminopropan-2-yl]amino]methyl-methyl-oxophosphanium is sourced from PubChem (CID 146222811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).