2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine

C18H18N4 — CID 137182720

IUPAC2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine
SMILESNCC/N=C1\Cc2c([nH]c3ccccc23)-c2ccccc2N1
InChIInChI=1S/C18H18N4/c19-9-10-20-17-11-14-12-5-1-3-7-15(12)22-18(14)13-6-2-4-8-16(13)21-17/h1-8,22H,9-11,19H2,(H,20,21)
InChIKeyKUIUXVNRDBSZKM-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.16
Rot. Bonds2

About 2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine

2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine (PubChem CID 137182720) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine.

Molecular Properties

Compound Name2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine
PubChem CID137182720
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine
SMILESNCC/N=C1\Cc2c([nH]c3ccccc23)-c2ccccc2N1
InChIInChI=1S/C18H18N4/c19-9-10-20-17-11-14-12-5-1-3-7-15(12)22-18(14)13-6-2-4-8-16(13)21-17/h1-8,22H,9-11,19H2,(H,20,21)
InChIKeyKUIUXVNRDBSZKM-UHFFFAOYSA-N
XLogP3.16
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,10-dihydroindeno[1,2-b]indole;ethane
CID 143208166
14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene
CID 150471805
9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-6-thione
CID 5331119
hexyl 6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carboxylate
CID 44818788
7-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
CID 122223786
2-(2-aminoethyl)-1H-indol-3-ol
CID 54537889
9H-carbazole;bis(9H-fluorene)
CID 158703465
6-ethyl-5,6,7,12-tetrahydroindolo[2,3-c][1]benzazepine
CID 42604913
2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine
CID 2771640
[2-(2-methylphenyl)-1H-indol-3-yl]methanamine
CID 22689271
1-benzyl-2-(trifluoromethyl)-5,10-dihydroindeno[1,2-b]indole
CID 175076817
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371

Frequently Asked Questions

What is the IUPAC name of 2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine?
The IUPAC name of 2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine (CID 137182720) is 2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine.
What is the SMILES notation for 2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine?
The canonical SMILES for 2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine is NCC/N=C1\Cc2c([nH]c3ccccc23)-c2ccccc2N1.
What is the InChIKey of 2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine?
The InChIKey is KUIUXVNRDBSZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c19-9-10-20-17-11-14-12-5-1-3-7-15(12)22-18(14)13-6-2-4-8-16(13)21-17/h1-8,22H,9-11,19H2,(H,20,21).
What are the key properties of 2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine?
2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine has a molecular weight of 290.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-ylideneamino)ethanamine is sourced from PubChem (CID 137182720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).