6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol

C20H32N2O2 — CID 59344390

IUPAC6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol
SMILESOCCCCCC/N=C/c1ccc(/C=N/CCCCCCO)cc1
InChIInChI=1S/C20H32N2O2/c23-15-7-3-1-5-13-21-17-19-9-11-20(12-10-19)18-22-14-6-2-4-8-16-24/h9-12,17-18,23-24H,1-8,13-16H2/b21-17+,22-18+
InChIKeyXBDZQMPGILVOSS-KSTNYAOJSA-N
MW332.49 g/mol
LogP3.63
Rot. Bonds14

About 6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol

6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol (PubChem CID 59344390) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol.

Molecular Properties

Compound Name6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol
PubChem CID59344390
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol
SMILESOCCCCCC/N=C/c1ccc(/C=N/CCCCCCO)cc1
InChIInChI=1S/C20H32N2O2/c23-15-7-3-1-5-13-21-17-19-9-11-20(12-10-19)18-22-14-6-2-4-8-16-24/h9-12,17-18,23-24H,1-8,13-16H2/b21-17+,22-18+
InChIKeyXBDZQMPGILVOSS-KSTNYAOJSA-N
XLogP3.63
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine
CID 59344399
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
CID 90407063
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
CID 139241248
4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
CID 136828234

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol?
The IUPAC name of 6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol (CID 59344390) is 6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol.
What is the SMILES notation for 6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol?
The canonical SMILES for 6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol is OCCCCCC/N=C/c1ccc(/C=N/CCCCCCO)cc1.
What is the InChIKey of 6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol?
The InChIKey is XBDZQMPGILVOSS-KSTNYAOJSA-N. The full InChI is InChI=1S/C20H32N2O2/c23-15-7-3-1-5-13-21-17-19-9-11-20(12-10-19)18-22-14-6-2-4-8-16-24/h9-12,17-18,23-24H,1-8,13-16H2/b21-17+,22-18+.
What are the key properties of 6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol?
6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol has a molecular weight of 332.49 g/mol, XLogP of 3.63, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol is sourced from PubChem (CID 59344390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).