N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine

C16H33N2O2P — CID 10947038

IUPACN-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCN(C)P(=O)(OC1CCC(C2CCCCC2)CC1)N(C)C
InChIInChI=1S/C16H33N2O2P/c1-17(2)21(19,18(3)4)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14/h14-16H,5-13H2,1-4H3
InChIKeyKCIYMBPIBOXROV-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.37
Rot. Bonds5

About N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine

N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine (PubChem CID 10947038) has the molecular formula C16H33N2O2P and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine
PubChem CID10947038
Molecular FormulaC16H33N2O2P
Molecular Weight316.43 g/mol
Exact Mass316.23
IUPAC NameN-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCN(C)P(=O)(OC1CCC(C2CCCCC2)CC1)N(C)C
InChIInChI=1S/C16H33N2O2P/c1-17(2)21(19,18(3)4)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14/h14-16H,5-13H2,1-4H3
InChIKeyKCIYMBPIBOXROV-UHFFFAOYSA-N
XLogP4.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine (CID 10947038) is N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine is CN(C)P(=O)(OC1CCC(C2CCCCC2)CC1)N(C)C.
What is the InChIKey of N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine?
The InChIKey is KCIYMBPIBOXROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N2O2P/c1-17(2)21(19,18(3)4)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14/h14-16H,5-13H2,1-4H3.
What are the key properties of N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine?
N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine has a molecular weight of 316.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 10947038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).