N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine

C15H28NO2P — CID 102147072

IUPACN-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine
SMILESC#CCNP(=O)(CC)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H28NO2P/c1-6-10-16-19(17,7-2)18-15-11-13(5)8-9-14(15)12(3)4/h1,12-15H,7-11H2,2-5H3,(H,16,17)/t13-,14+,15-,19?/m1/s1
InChIKeyPXKVDQHWKQREQH-LZYSYQLFSA-N
MW285.37 g/mol
LogP3.90
Rot. Bonds6

About N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine

N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine (PubChem CID 102147072) has the molecular formula C15H28NO2P and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine
PubChem CID102147072
Molecular FormulaC15H28NO2P
Molecular Weight285.37 g/mol
Exact Mass285.19
IUPAC NameN-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine
SMILESC#CCNP(=O)(CC)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H28NO2P/c1-6-10-16-19(17,7-2)18-15-11-13(5)8-9-14(15)12(3)4/h1,12-15H,7-11H2,2-5H3,(H,16,17)/t13-,14+,15-,19?/m1/s1
InChIKeyPXKVDQHWKQREQH-LZYSYQLFSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane
CID 73079157
(5-methyl-2-propan-2-ylcyclohexyl) phosphono hydrogen phosphate
CID 54119875
(2S)-2-[bis[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphorylmethyl]oxirane
CID 124667888
N-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]butan-1-amine
CID 46702321
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
2-(methylamino)ethyl (5-methyl-2-propan-2-ylcyclohexyl) hydrogen phosphate
CID 54281799
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040
[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
(1R)-1-bis[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphoryl-2,2-dimethylpropan-1-ol
CID 124721035
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025

Frequently Asked Questions

What is the IUPAC name of N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine?
The IUPAC name of N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine (CID 102147072) is N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine.
What is the SMILES notation for N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine?
The canonical SMILES for N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine is C#CCNP(=O)(CC)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine?
The InChIKey is PXKVDQHWKQREQH-LZYSYQLFSA-N. The full InChI is InChI=1S/C15H28NO2P/c1-6-10-16-19(17,7-2)18-15-11-13(5)8-9-14(15)12(3)4/h1,12-15H,7-11H2,2-5H3,(H,16,17)/t13-,14+,15-,19?/m1/s1.
What are the key properties of N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine?
N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine has a molecular weight of 285.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]prop-2-yn-1-amine is sourced from PubChem (CID 102147072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).