N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine

C18H18N2 — CID 137472883

IUPACN-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine
SMILESC=c1ccccc(=C)nc2c(/N=C/C)c(C)ccc2c1
InChIInChI=1S/C18H18N2/c1-5-19-17-14(3)10-11-16-12-13(2)8-6-7-9-15(4)20-18(16)17/h5-12H,2,4H2,1,3H3/b8-6-,9-7-,16-12-,19-5+,20-18+
InChIKeyKYDAOODXJMZUQB-ULJFFHQISA-N
MW262.36 g/mol
LogP3.21
Rot. Bonds1

About N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine

N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine (PubChem CID 137472883) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine.

Molecular Properties

Compound NameN-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine
PubChem CID137472883
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine
SMILESC=c1ccccc(=C)nc2c(/N=C/C)c(C)ccc2c1
InChIInChI=1S/C18H18N2/c1-5-19-17-14(3)10-11-16-12-13(2)8-6-7-9-15(4)20-18(16)17/h5-12H,2,4H2,1,3H3/b8-6-,9-7-,16-12-,19-5+,20-18+
InChIKeyKYDAOODXJMZUQB-ULJFFHQISA-N
XLogP3.21
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-Pyrido[4,3-b]indole
CID 15897929
Pyrrolo[2,3-c]carbazole
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6-Fluoro-1,10-dimethylpyrrolo[3,2-b]carbazole
CID 139680665
2-(4,5-Dimethylpyrrol-3-ylidene)indole
CID 123661071
3h-Pyrrolo[2,3-h]quinoline
CID 129782205
1h-Azocino[5,4-b]indole
CID 129855653
Indoloazonine
CID 129877832
Azonino[5,6-b]indole
CID 129879581
1,2-Dihydroazepino[4,5-b]indole
CID 137797120
1H-pyrido[4,3-b]carbazole
CID 21886950
11,21-Diazatetracyclo[12.7.0.04,9.015,20]henicosa-1,3,6,8,10,12,14,16,18,20-decaene
CID 21887300

Frequently Asked Questions

What is the IUPAC name of N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine?
The IUPAC name of N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine (CID 137472883) is N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine.
What is the SMILES notation for N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine?
The canonical SMILES for N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine is C=c1ccccc(=C)nc2c(/N=C/C)c(C)ccc2c1.
What is the InChIKey of N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine?
The InChIKey is KYDAOODXJMZUQB-ULJFFHQISA-N. The full InChI is InChI=1S/C18H18N2/c1-5-19-17-14(3)10-11-16-12-13(2)8-6-7-9-15(4)20-18(16)17/h5-12H,2,4H2,1,3H3/b8-6-,9-7-,16-12-,19-5+,20-18+.
What are the key properties of N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine?
N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine has a molecular weight of 262.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-methyl-2,7-dimethylidene-1-benzazecin-12-yl)ethanimine is sourced from PubChem (CID 137472883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).