2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol

C26H44N2O — CID 91111031

IUPAC2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol
SMILESC=NC1CCCCC1NCc1cc(C(C)(CCCC)CCCCC)cc(C)c1O
InChIInChI=1S/C26H44N2O/c1-6-8-12-16-26(4,15-9-7-2)22-17-20(3)25(29)21(18-22)19-28-24-14-11-10-13-23(24)27-5/h17-18,23-24,28-29H,5-16,19H2,1-4H3
InChIKeyBYAVIEBLWHLELW-UHFFFAOYSA-N
MW400.65 g/mol
LogP6.83
Rot. Bonds12

About 2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol

2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol (PubChem CID 91111031) has the molecular formula C26H44N2O and a molecular weight of 400.65 g/mol. Its IUPAC name is 2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol
PubChem CID91111031
Molecular FormulaC26H44N2O
Molecular Weight400.65 g/mol
Exact Mass400.35
IUPAC Name2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol
SMILESC=NC1CCCCC1NCc1cc(C(C)(CCCC)CCCCC)cc(C)c1O
InChIInChI=1S/C26H44N2O/c1-6-8-12-16-26(4,15-9-7-2)22-17-20(3)25(29)21(18-22)19-28-24-14-11-10-13-23(24)27-5/h17-18,23-24,28-29H,5-16,19H2,1-4H3
InChIKeyBYAVIEBLWHLELW-UHFFFAOYSA-N
XLogP6.83
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.65
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol?
The IUPAC name of 2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol (CID 91111031) is 2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol.
What is the SMILES notation for 2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol?
The canonical SMILES for 2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol is C=NC1CCCCC1NCc1cc(C(C)(CCCC)CCCCC)cc(C)c1O.
What is the InChIKey of 2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol?
The InChIKey is BYAVIEBLWHLELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O/c1-6-8-12-16-26(4,15-9-7-2)22-17-20(3)25(29)21(18-22)19-28-24-14-11-10-13-23(24)27-5/h17-18,23-24,28-29H,5-16,19H2,1-4H3.
What are the key properties of 2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol?
2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol has a molecular weight of 400.65 g/mol, XLogP of 6.83, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methyldecan-5-yl)-6-[[[2-(methylideneamino)cyclohexyl]amino]methyl]phenol is sourced from PubChem (CID 91111031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).