(tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid

C16H34NO3P — CID 102070234

IUPAC(tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid
SMILESCC1CCC(C(C)C)C(COP(=O)(O)CNC(C)(C)C)C1
InChIInChI=1S/C16H34NO3P/c1-12(2)15-8-7-13(3)9-14(15)10-20-21(18,19)11-17-16(4,5)6/h12-15,17H,7-11H2,1-6H3,(H,18,19)
InChIKeyVNWAHIMSURFIGM-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.24
Rot. Bonds6

About (tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid

(tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid (PubChem CID 102070234) has the molecular formula C16H34NO3P and a molecular weight of 319.43 g/mol. Its IUPAC name is (tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid.

Molecular Properties

Compound Name(tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid
PubChem CID102070234
Molecular FormulaC16H34NO3P
Molecular Weight319.43 g/mol
Exact Mass319.23
IUPAC Name(tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid
SMILESCC1CCC(C(C)C)C(COP(=O)(O)CNC(C)(C)C)C1
InChIInChI=1S/C16H34NO3P/c1-12(2)15-8-7-13(3)9-14(15)10-20-21(18,19)11-17-16(4,5)6/h12-15,17H,7-11H2,1-6H3,(H,18,19)
InChIKeyVNWAHIMSURFIGM-UHFFFAOYSA-N
XLogP4.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.24
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-tert-butyl-N-[(4-cyanophenyl)methyl]-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphonamidic acid
CID 102070238
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl 2-aminoacetate
CID 153428354
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
2-(methylamino)ethyl (5-methyl-2-propan-2-ylcyclohexyl) hydrogen phosphate
CID 54281799
2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
CID 66471064
tert-butyl (2R)-2-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]amino]propanoate
CID 67262765
N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
CID 62445917
N-tert-butyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
CID 63490385
tert-butyl N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]carbamate
CID 129070915
2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane
CID 10778844
2-ethyl-4-methyl-1-propan-2-ylcyclohexane;formamido acetate
CID 87523406

Frequently Asked Questions

What is the IUPAC name of (tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid?
The IUPAC name of (tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid (CID 102070234) is (tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid.
What is the SMILES notation for (tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid?
The canonical SMILES for (tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid is CC1CCC(C(C)C)C(COP(=O)(O)CNC(C)(C)C)C1.
What is the InChIKey of (tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid?
The InChIKey is VNWAHIMSURFIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34NO3P/c1-12(2)15-8-7-13(3)9-14(15)10-20-21(18,19)11-17-16(4,5)6/h12-15,17H,7-11H2,1-6H3,(H,18,19).
What are the key properties of (tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid?
(tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid has a molecular weight of 319.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)methyl-[(5-methyl-2-propan-2-ylcyclohexyl)methoxy]phosphinic acid is sourced from PubChem (CID 102070234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).