(3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine

C18H40NP — CID 129267370

IUPAC(3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine
SMILESCCC(CNC)[C@@H](C)C([C@@H](C)CCCC(C)C)P(C)C
InChIInChI=1S/C18H40NP/c1-9-17(13-19-6)16(5)18(20(7)8)15(4)12-10-11-14(2)3/h14-19H,9-13H2,1-8H3/t15-,16+,17?,18?/m0/s1
InChIKeyBISYMYUBCXWJFW-KNXWPPODSA-N
MW301.50 g/mol
LogP5.44
Rot. Bonds11

About (3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine

(3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine (PubChem CID 129267370) has the molecular formula C18H40NP and a molecular weight of 301.50 g/mol. Its IUPAC name is (3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine.

Molecular Properties

Compound Name(3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine
PubChem CID129267370
Molecular FormulaC18H40NP
Molecular Weight301.50 g/mol
Exact Mass301.29
IUPAC Name(3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine
SMILESCCC(CNC)[C@@H](C)C([C@@H](C)CCCC(C)C)P(C)C
InChIInChI=1S/C18H40NP/c1-9-17(13-19-6)16(5)18(20(7)8)15(4)12-10-11-14(2)3/h14-19H,9-13H2,1-8H3/t15-,16+,17?,18?/m0/s1
InChIKeyBISYMYUBCXWJFW-KNXWPPODSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine?
The IUPAC name of (3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine (CID 129267370) is (3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine.
What is the SMILES notation for (3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine?
The canonical SMILES for (3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine is CCC(CNC)[C@@H](C)C([C@@H](C)CCCC(C)C)P(C)C.
What is the InChIKey of (3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine?
The InChIKey is BISYMYUBCXWJFW-KNXWPPODSA-N. The full InChI is InChI=1S/C18H40NP/c1-9-17(13-19-6)16(5)18(20(7)8)15(4)12-10-11-14(2)3/h14-19H,9-13H2,1-8H3/t15-,16+,17?,18?/m0/s1.
What are the key properties of (3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine?
(3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.44, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-4-dimethylphosphanyl-2-ethyl-N,3,5,9-tetramethyldecan-1-amine is sourced from PubChem (CID 129267370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).