3-(cycloheptyliminomethyl)-1-methylindol-2-ol

C17H22N2O — CID 136935322

IUPAC3-(cycloheptyliminomethyl)-1-methylindol-2-ol
SMILESCn1c(O)c(/C=N/C2CCCCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-19-16-11-7-6-10-14(16)15(17(19)20)12-18-13-8-4-2-3-5-9-13/h6-7,10-13,20H,2-5,8-9H2,1H3/b18-12+
InChIKeyQVYJQKLVRRFCFT-LDADJPATSA-N
MW270.38 g/mol
LogP4.03
Rot. Bonds2

About 3-(cycloheptyliminomethyl)-1-methylindol-2-ol

3-(cycloheptyliminomethyl)-1-methylindol-2-ol (PubChem CID 136935322) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(cycloheptyliminomethyl)-1-methylindol-2-ol.

Molecular Properties

Compound Name3-(cycloheptyliminomethyl)-1-methylindol-2-ol
PubChem CID136935322
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(cycloheptyliminomethyl)-1-methylindol-2-ol
SMILESCn1c(O)c(/C=N/C2CCCCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-19-16-11-7-6-10-14(16)15(17(19)20)12-18-13-8-4-2-3-5-9-13/h6-7,10-13,20H,2-5,8-9H2,1H3/b18-12+
InChIKeyQVYJQKLVRRFCFT-LDADJPATSA-N
XLogP4.03
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(cyclohexyliminomethyl)-1-methylindol-2-yl]sulfanylacetonitrile
CID 137278017
3-(cyclooctyliminomethyl)-1H-indol-2-ol
CID 2256129
1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol
CID 136935292
1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol
CID 136935383
4-(cyclooctyliminomethyl)-3-hydroxy-2H-isoquinolin-1-one
CID 135925889
3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol
CID 136935335
1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol
CID 136935362
3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
CID 136935313
1-[(1-ethylpiperidin-4-yl)iminomethyl]naphthalen-2-ol
CID 135598116
N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine
CID 15443759
N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine
CID 137062424
4-(cycloheptyliminomethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 804939

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptyliminomethyl)-1-methylindol-2-ol?
The IUPAC name of 3-(cycloheptyliminomethyl)-1-methylindol-2-ol (CID 136935322) is 3-(cycloheptyliminomethyl)-1-methylindol-2-ol.
What is the SMILES notation for 3-(cycloheptyliminomethyl)-1-methylindol-2-ol?
The canonical SMILES for 3-(cycloheptyliminomethyl)-1-methylindol-2-ol is Cn1c(O)c(/C=N/C2CCCCCC2)c2ccccc21.
What is the InChIKey of 3-(cycloheptyliminomethyl)-1-methylindol-2-ol?
The InChIKey is QVYJQKLVRRFCFT-LDADJPATSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19-16-11-7-6-10-14(16)15(17(19)20)12-18-13-8-4-2-3-5-9-13/h6-7,10-13,20H,2-5,8-9H2,1H3/b18-12+.
What are the key properties of 3-(cycloheptyliminomethyl)-1-methylindol-2-ol?
3-(cycloheptyliminomethyl)-1-methylindol-2-ol has a molecular weight of 270.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptyliminomethyl)-1-methylindol-2-ol is sourced from PubChem (CID 136935322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).