(2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol

C7H19N2OP — CID 59971907

IUPAC(2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol
SMILESC[C@@H]([C@H](O)CN(C)P)N(C)C
InChIInChI=1S/C7H19N2OP/c1-6(8(2)3)7(10)5-9(4)11/h6-7,10H,5,11H2,1-4H3/t6-,7+/m0/s1
InChIKeyAISADAJQTWZMDK-NKWVEPMBSA-N
MW178.22 g/mol
LogP0.02
Rot. Bonds4

About (2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol

(2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol (PubChem CID 59971907) has the molecular formula C7H19N2OP and a molecular weight of 178.22 g/mol. Its IUPAC name is (2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol
PubChem CID59971907
Molecular FormulaC7H19N2OP
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name(2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol
SMILESC[C@@H]([C@H](O)CN(C)P)N(C)C
InChIInChI=1S/C7H19N2OP/c1-6(8(2)3)7(10)5-9(4)11/h6-7,10H,5,11H2,1-4H3/t6-,7+/m0/s1
InChIKeyAISADAJQTWZMDK-NKWVEPMBSA-N
XLogP0.02
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol?
The IUPAC name of (2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol (CID 59971907) is (2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol?
The canonical SMILES for (2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol is C[C@@H]([C@H](O)CN(C)P)N(C)C.
What is the InChIKey of (2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol?
The InChIKey is AISADAJQTWZMDK-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H19N2OP/c1-6(8(2)3)7(10)5-9(4)11/h6-7,10H,5,11H2,1-4H3/t6-,7+/m0/s1.
What are the key properties of (2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol?
(2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol has a molecular weight of 178.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol is sourced from PubChem (CID 59971907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).