1,2-dihydrobenzo[cd]indol-6-amine

C11H10N2 — CID 117275548

IUPAC1,2-dihydrobenzo[cd]indol-6-amine
SMILESNc1ccc2c3c(cccc13)CN2
InChIInChI=1S/C11H10N2/c12-9-4-5-10-11-7(6-13-10)2-1-3-8(9)11/h1-5,13H,6,12H2
InChIKeyYIWKTIOATZOWRD-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.35
Rot. Bonds

About 1,2-dihydrobenzo[cd]indol-6-amine

1,2-dihydrobenzo[cd]indol-6-amine (PubChem CID 117275548) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 1,2-dihydrobenzo[cd]indol-6-amine.

Molecular Properties

Compound Name1,2-dihydrobenzo[cd]indol-6-amine
PubChem CID117275548
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name1,2-dihydrobenzo[cd]indol-6-amine
SMILESNc1ccc2c3c(cccc13)CN2
InChIInChI=1S/C11H10N2/c12-9-4-5-10-11-7(6-13-10)2-1-3-8(9)11/h1-5,13H,6,12H2
InChIKeyYIWKTIOATZOWRD-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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pyren-1-amine
CID 15352
8-amino-3,4-dihydro-1H-quinazoline-2-thione
CID 84767958
9-amino-2,3-dihydro-1H-benzo[e]indol-5-ol
CID 143754978
2,3-dihydroisoindol-1-one;perylene
CID 157138971
2-(1,2-dihydroacenaphthylen-5-yl)aniline
CID 114939446
8-amino-2,4-dihydro-1H-isoquinolin-3-one
CID 124925857
9-amino-4,5-dihydro-1,4-benzoxazepin-3-one;ethane
CID 145093037
triphenylen-1-amine
CID 11139339
(Z)-(11-ethyl-6-methoxy-11-methyl-10-azatricyclo[7.5.1.05,15]pentadeca-1(15),2,4,6,8-pentaen-13-ylidene)methanamine
CID 134385802
pyren-1-amine;pyrene-1,3-diamine;pyrene-1,6-diamine;pyrene-1,8-diamine
CID 175402648
2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine
CID 114939428

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrobenzo[cd]indol-6-amine?
The IUPAC name of 1,2-dihydrobenzo[cd]indol-6-amine (CID 117275548) is 1,2-dihydrobenzo[cd]indol-6-amine.
What is the SMILES notation for 1,2-dihydrobenzo[cd]indol-6-amine?
The canonical SMILES for 1,2-dihydrobenzo[cd]indol-6-amine is Nc1ccc2c3c(cccc13)CN2.
What is the InChIKey of 1,2-dihydrobenzo[cd]indol-6-amine?
The InChIKey is YIWKTIOATZOWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c12-9-4-5-10-11-7(6-13-10)2-1-3-8(9)11/h1-5,13H,6,12H2.
What are the key properties of 1,2-dihydrobenzo[cd]indol-6-amine?
1,2-dihydrobenzo[cd]indol-6-amine has a molecular weight of 170.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrobenzo[cd]indol-6-amine is sourced from PubChem (CID 117275548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).