5-N-ethyl-6-methylideneisoindole-1,5-diamine

C11H13N3 — CID 123212757

IUPAC5-N-ethyl-6-methylideneisoindole-1,5-diamine
SMILESC=c1cc2c(cc1NCC)=CN=C2N
InChIInChI=1S/C11H13N3/c1-3-13-10-5-8-6-14-11(12)9(8)4-7(10)2/h4-6,13H,2-3H2,1H3,(H2,12,14)
InChIKeyYUQXAYPUUZFIKC-UHFFFAOYSA-N
MW187.25 g/mol
LogP-0.01
Rot. Bonds2

About 5-N-ethyl-6-methylideneisoindole-1,5-diamine

5-N-ethyl-6-methylideneisoindole-1,5-diamine (PubChem CID 123212757) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-N-ethyl-6-methylideneisoindole-1,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-6-methylideneisoindole-1,5-diamine
PubChem CID123212757
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-N-ethyl-6-methylideneisoindole-1,5-diamine
SMILESC=c1cc2c(cc1NCC)=CN=C2N
InChIInChI=1S/C11H13N3/c1-3-13-10-5-8-6-14-11(12)9(8)4-7(10)2/h4-6,13H,2-3H2,1H3,(H2,12,14)
InChIKeyYUQXAYPUUZFIKC-UHFFFAOYSA-N
XLogP-0.01
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-1,2-dihydropyridin-6-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 88909184
5-fluoro-2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309044
1H-Imidazo(4,5-f)quinolin-2-amine, 4-methyl-
CID 153822
4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine
CID 19826811
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466
6-(3-aminopropyl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 90195081
2-Tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine
CID 90254267
6-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 91085484
(Z)-N'-[1-(5-chloro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]but-2-enimidamide
CID 118650802
N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide
CID 123457912

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-6-methylideneisoindole-1,5-diamine?
The IUPAC name of 5-N-ethyl-6-methylideneisoindole-1,5-diamine (CID 123212757) is 5-N-ethyl-6-methylideneisoindole-1,5-diamine.
What is the SMILES notation for 5-N-ethyl-6-methylideneisoindole-1,5-diamine?
The canonical SMILES for 5-N-ethyl-6-methylideneisoindole-1,5-diamine is C=c1cc2c(cc1NCC)=CN=C2N.
What is the InChIKey of 5-N-ethyl-6-methylideneisoindole-1,5-diamine?
The InChIKey is YUQXAYPUUZFIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-13-10-5-8-6-14-11(12)9(8)4-7(10)2/h4-6,13H,2-3H2,1H3,(H2,12,14).
What are the key properties of 5-N-ethyl-6-methylideneisoindole-1,5-diamine?
5-N-ethyl-6-methylideneisoindole-1,5-diamine has a molecular weight of 187.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-6-methylideneisoindole-1,5-diamine is sourced from PubChem (CID 123212757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).