N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide

C11H23N2O4P — CID 87738917

IUPACN-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide
SMILESCCOP(=O)(OCC)C(=O)N[C@H]1CCCC[C@H]1N
InChIInChI=1S/C11H23N2O4P/c1-3-16-18(15,17-4-2)11(14)13-10-8-6-5-7-9(10)12/h9-10H,3-8,12H2,1-2H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyLNEGGXHAOINNOL-ZJUUUORDSA-N
MW278.29 g/mol
LogP2.23
Rot. Bonds6

About N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide

N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide (PubChem CID 87738917) has the molecular formula C11H23N2O4P and a molecular weight of 278.29 g/mol. Its IUPAC name is N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide
PubChem CID87738917
Molecular FormulaC11H23N2O4P
Molecular Weight278.29 g/mol
Exact Mass278.14
IUPAC NameN-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide
SMILESCCOP(=O)(OCC)C(=O)N[C@H]1CCCC[C@H]1N
InChIInChI=1S/C11H23N2O4P/c1-3-16-18(15,17-4-2)11(14)13-10-8-6-5-7-9(10)12/h9-10H,3-8,12H2,1-2H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyLNEGGXHAOINNOL-ZJUUUORDSA-N
XLogP2.23
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide?
The IUPAC name of N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide (CID 87738917) is N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide.
What is the SMILES notation for N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide?
The canonical SMILES for N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide is CCOP(=O)(OCC)C(=O)N[C@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide?
The InChIKey is LNEGGXHAOINNOL-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23N2O4P/c1-3-16-18(15,17-4-2)11(14)13-10-8-6-5-7-9(10)12/h9-10H,3-8,12H2,1-2H3,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide?
N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide has a molecular weight of 278.29 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-aminocyclohexyl]-1-diethoxyphosphorylformamide is sourced from PubChem (CID 87738917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).