2,6-bis[3-(dimethylamino)propyliminomethyl]phenol

C18H30N4O — CID 136704302

IUPAC2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
SMILESCN(C)CCC/N=C/c1cccc(/C=N/CCCN(C)C)c1O
InChIInChI=1S/C18H30N4O/c1-21(2)12-6-10-19-14-16-8-5-9-17(18(16)23)15-20-11-7-13-22(3)4/h5,8-9,14-15,23H,6-7,10-13H2,1-4H3/b19-14+,20-15+
InChIKeyKHWJTLDBSMCYBS-PXXPDPNMSA-N
MW318.46 g/mol
LogP2.13
Rot. Bonds10

About 2,6-bis[3-(dimethylamino)propyliminomethyl]phenol

2,6-bis[3-(dimethylamino)propyliminomethyl]phenol (PubChem CID 136704302) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2,6-bis[3-(dimethylamino)propyliminomethyl]phenol.

Molecular Properties

Compound Name2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
PubChem CID136704302
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
SMILESCN(C)CCC/N=C/c1cccc(/C=N/CCCN(C)C)c1O
InChIInChI=1S/C18H30N4O/c1-21(2)12-6-10-19-14-16-8-5-9-17(18(16)23)15-20-11-7-13-22(3)4/h5,8-9,14-15,23H,6-7,10-13H2,1-4H3/b19-14+,20-15+
InChIKeyKHWJTLDBSMCYBS-PXXPDPNMSA-N
XLogP2.13
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol
CID 137090728
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
cobalt;tris(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol;iron;hydrate
CID 162275151
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine
CID 102365313
dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 135997406
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
3-(2-hydroxyethyliminomethyl)benzene-1,2-diol
CID 135744038
2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 5232645

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(dimethylamino)propyliminomethyl]phenol?
The IUPAC name of 2,6-bis[3-(dimethylamino)propyliminomethyl]phenol (CID 136704302) is 2,6-bis[3-(dimethylamino)propyliminomethyl]phenol.
What is the SMILES notation for 2,6-bis[3-(dimethylamino)propyliminomethyl]phenol?
The canonical SMILES for 2,6-bis[3-(dimethylamino)propyliminomethyl]phenol is CN(C)CCC/N=C/c1cccc(/C=N/CCCN(C)C)c1O.
What is the InChIKey of 2,6-bis[3-(dimethylamino)propyliminomethyl]phenol?
The InChIKey is KHWJTLDBSMCYBS-PXXPDPNMSA-N. The full InChI is InChI=1S/C18H30N4O/c1-21(2)12-6-10-19-14-16-8-5-9-17(18(16)23)15-20-11-7-13-22(3)4/h5,8-9,14-15,23H,6-7,10-13H2,1-4H3/b19-14+,20-15+.
What are the key properties of 2,6-bis[3-(dimethylamino)propyliminomethyl]phenol?
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol has a molecular weight of 318.46 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(dimethylamino)propyliminomethyl]phenol is sourced from PubChem (CID 136704302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).