N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine

C22H48NO3P — CID 11795593

IUPACN-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine
SMILESCCCCCCCCCCNC(C)(CCCC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C22H48NO3P/c1-8-10-12-13-14-15-16-17-19-23-22(7,18-11-9-2)27(24,25-20(3)4)26-21(5)6/h20-21,23H,8-19H2,1-7H3
InChIKeySHORCLSBXOEMCZ-UHFFFAOYSA-N
MW405.60 g/mol
LogP7.67
Rot. Bonds18

About N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine

N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine (PubChem CID 11795593) has the molecular formula C22H48NO3P and a molecular weight of 405.60 g/mol. Its IUPAC name is N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine.

Molecular Properties

Compound NameN-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine
PubChem CID11795593
Molecular FormulaC22H48NO3P
Molecular Weight405.60 g/mol
Exact Mass405.34
IUPAC NameN-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine
SMILESCCCCCCCCCCNC(C)(CCCC)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C22H48NO3P/c1-8-10-12-13-14-15-16-17-19-23-22(7,18-11-9-2)27(24,25-20(3)4)26-21(5)6/h20-21,23H,8-19H2,1-7H3
InChIKeySHORCLSBXOEMCZ-UHFFFAOYSA-N
XLogP7.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.60
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine?
The IUPAC name of N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine (CID 11795593) is N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine.
What is the SMILES notation for N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine?
The canonical SMILES for N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine is CCCCCCCCCCNC(C)(CCCC)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine?
The InChIKey is SHORCLSBXOEMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48NO3P/c1-8-10-12-13-14-15-16-17-19-23-22(7,18-11-9-2)27(24,25-20(3)4)26-21(5)6/h20-21,23H,8-19H2,1-7H3.
What are the key properties of N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine?
N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine has a molecular weight of 405.60 g/mol, XLogP of 7.67, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-di(propan-2-yloxy)phosphorylhexan-2-yl]decan-1-amine is sourced from PubChem (CID 11795593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).