N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine

C17H36NO2P — CID 14310529

IUPACN-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCOP(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C17H36NO2P/c1-12(2)16-10-9-15(7)11-17(16)20-21(19-8)18(13(3)4)14(5)6/h12-17H,9-11H2,1-8H3/t15-,16+,17-,21?/m1/s1
InChIKeyHJMZRUNDCOLBKP-IJIRQLBGSA-N
MW317.45 g/mol
LogP5.46
Rot. Bonds7

About N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine

N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 14310529) has the molecular formula C17H36NO2P and a molecular weight of 317.45 g/mol. Its IUPAC name is N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID14310529
Molecular FormulaC17H36NO2P
Molecular Weight317.45 g/mol
Exact Mass317.25
IUPAC NameN-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCOP(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C17H36NO2P/c1-12(2)16-10-9-15(7)11-17(16)20-21(19-8)18(13(3)4)14(5)6/h12-17H,9-11H2,1-8H3/t15-,16+,17-,21?/m1/s1
InChIKeyHJMZRUNDCOLBKP-IJIRQLBGSA-N
XLogP5.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.45
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
CID 584302
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
trimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxysilane
CID 11138915
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
methyl-tris[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]silane
CID 101270451
[bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphinothioyldisulfanyl]-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanylidene-λ5-phosphane
CID 11457094
hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane
CID 102070240
dichloro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyalumane
CID 16695980

Frequently Asked Questions

What is the IUPAC name of N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine (CID 14310529) is N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine is COP(O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is HJMZRUNDCOLBKP-IJIRQLBGSA-N. The full InChI is InChI=1S/C17H36NO2P/c1-12(2)16-10-9-15(7)11-17(16)20-21(19-8)18(13(3)4)14(5)6/h12-17H,9-11H2,1-8H3/t15-,16+,17-,21?/m1/s1.
What are the key properties of N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine?
N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 317.45 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 14310529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).