N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine

C23H48F2N2 — CID 89292933

IUPACN-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(CCNCCCN(C)C)CC(C)CC(C)CC(F)CCCC(C)(C)F
InChIInChI=1S/C23H48F2N2/c1-19(11-14-26-13-9-15-27(6)7)16-20(2)17-21(3)18-22(24)10-8-12-23(4,5)25/h19-22,26H,8-18H2,1-7H3
InChIKeyPVIXHOFHHSNTKB-UHFFFAOYSA-N
MW390.65 g/mol
LogP6.25
Rot. Bonds17

About N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine

N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 89292933) has the molecular formula C23H48F2N2 and a molecular weight of 390.65 g/mol. Its IUPAC name is N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID89292933
Molecular FormulaC23H48F2N2
Molecular Weight390.65 g/mol
Exact Mass390.38
IUPAC NameN-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(CCNCCCN(C)C)CC(C)CC(C)CC(F)CCCC(C)(C)F
InChIInChI=1S/C23H48F2N2/c1-19(11-14-26-13-9-15-27(6)7)16-20(2)17-21(3)18-22(24)10-8-12-23(4,5)25/h19-22,26H,8-18H2,1-7H3
InChIKeyPVIXHOFHHSNTKB-UHFFFAOYSA-N
XLogP6.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine (CID 89292933) is N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine is CC(CCNCCCN(C)C)CC(C)CC(C)CC(F)CCCC(C)(C)F.
What is the InChIKey of N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is PVIXHOFHHSNTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48F2N2/c1-19(11-14-26-13-9-15-27(6)7)16-20(2)17-21(3)18-22(24)10-8-12-23(4,5)25/h19-22,26H,8-18H2,1-7H3.
What are the key properties of N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine?
N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 390.65 g/mol, XLogP of 6.25, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,13-difluoro-3,5,7,13-tetramethyltetradecyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 89292933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).