ethane;3-iminobenzo[f]isoindol-1-amine;propane

C17H23N3 — CID 91220284

IUPACethane;3-iminobenzo[f]isoindol-1-amine;propane
SMILESCC.CCC.[H]/N=C1\N=C(N)c2cc3ccccc3cc21
InChIInChI=1S/C12H9N3.C3H8.C2H6/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11;1-3-2;1-2/h1-6H,(H3,13,14,15);3H2,1-2H3;1-2H3
InChIKeySNQCJRJKFZZAEF-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.33
Rot. Bonds

About ethane;3-iminobenzo[f]isoindol-1-amine;propane

ethane;3-iminobenzo[f]isoindol-1-amine;propane (PubChem CID 91220284) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is ethane;3-iminobenzo[f]isoindol-1-amine;propane.

Molecular Properties

Compound Nameethane;3-iminobenzo[f]isoindol-1-amine;propane
PubChem CID91220284
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Nameethane;3-iminobenzo[f]isoindol-1-amine;propane
SMILESCC.CCC.[H]/N=C1\N=C(N)c2cc3ccccc3cc21
InChIInChI=1S/C12H9N3.C3H8.C2H6/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11;1-3-2;1-2/h1-6H,(H3,13,14,15);3H2,1-2H3;1-2H3
InChIKeySNQCJRJKFZZAEF-UHFFFAOYSA-N
XLogP4.33
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iminoisoindol-1-amine
CID 139180243
3-imino-6-phenoxybenzo[f]isoindol-1-amine
CID 163406159
6-chloro-3-iminobenzo[f]isoindol-1-amine
CID 19991336
5-decylsulfanyl-1-iminobenzo[f]isoindol-3-amine
CID 139681303
3-imino-6-N-(4-methylphenyl)benzo[f]isoindole-1,6-diamine
CID 163406172
5-butyl-3-iminoisoindol-1-amine
CID 70658508
5-heptoxy-3-iminoisoindol-1-amine
CID 139672262
(1-amino-3-iminoisoindol-5-yl)methanethiol
CID 155714870
CID 102084661
CID 102084661
3-imino-5-(2,2,2-trifluoroethoxy)isoindol-1-amine
CID 18006514
3-iminoisoindole-1,4-diamine
CID 173277790
anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane
CID 161162660

Frequently Asked Questions

What is the IUPAC name of ethane;3-iminobenzo[f]isoindol-1-amine;propane?
The IUPAC name of ethane;3-iminobenzo[f]isoindol-1-amine;propane (CID 91220284) is ethane;3-iminobenzo[f]isoindol-1-amine;propane.
What is the SMILES notation for ethane;3-iminobenzo[f]isoindol-1-amine;propane?
The canonical SMILES for ethane;3-iminobenzo[f]isoindol-1-amine;propane is CC.CCC.[H]/N=C1\N=C(N)c2cc3ccccc3cc21.
What is the InChIKey of ethane;3-iminobenzo[f]isoindol-1-amine;propane?
The InChIKey is SNQCJRJKFZZAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3.C3H8.C2H6/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11;1-3-2;1-2/h1-6H,(H3,13,14,15);3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-iminobenzo[f]isoindol-1-amine;propane?
ethane;3-iminobenzo[f]isoindol-1-amine;propane has a molecular weight of 269.39 g/mol, XLogP of 4.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-iminobenzo[f]isoindol-1-amine;propane is sourced from PubChem (CID 91220284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).