N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate

C15H32NO6P — CID 70264919

IUPACN-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
SMILESC1CCC(NC2CCCCC2)CC1.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C12H23N.C3H9O6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4-1-3(5)2-9-10(6,7)8/h11-13H,1-10H2;3-5H,1-2H2,(H2,6,7,8)
InChIKeyMWIZVYQXEKSCNH-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.69
Rot. Bonds6

About N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate

N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate (PubChem CID 70264919) has the molecular formula C15H32NO6P and a molecular weight of 353.40 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
PubChem CID70264919
Molecular FormulaC15H32NO6P
Molecular Weight353.40 g/mol
Exact Mass353.20
IUPAC NameN-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
SMILESC1CCC(NC2CCCCC2)CC1.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C12H23N.C3H9O6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4-1-3(5)2-9-10(6,7)8/h11-13H,1-10H2;3-5H,1-2H2,(H2,6,7,8)
InChIKeyMWIZVYQXEKSCNH-UHFFFAOYSA-N
XLogP1.69
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.69
H-Bond Donors ≤ 55
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-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate?
The IUPAC name of N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate (CID 70264919) is N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate.
What is the SMILES notation for N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate?
The canonical SMILES for N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate is C1CCC(NC2CCCCC2)CC1.O=P(O)(O)OCC(O)CO.
What is the InChIKey of N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate?
The InChIKey is MWIZVYQXEKSCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C3H9O6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4-1-3(5)2-9-10(6,7)8/h11-13H,1-10H2;3-5H,1-2H2,(H2,6,7,8).
What are the key properties of N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate?
N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate has a molecular weight of 353.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate is sourced from PubChem (CID 70264919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).