3a,4-dihydro-1H-indol-4-amine

C8H10N2 — CID 130281332

IUPAC3a,4-dihydro-1H-indol-4-amine
SMILESNC1C=CC=C2NC=CC21
InChIInChI=1S/C8H10N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-7,10H,9H2
InChIKeyCYZKUGPUGJDKMN-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.50
Rot. Bonds

About 3a,4-dihydro-1H-indol-4-amine

3a,4-dihydro-1H-indol-4-amine (PubChem CID 130281332) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3a,4-dihydro-1H-indol-4-amine.

Molecular Properties

Compound Name3a,4-dihydro-1H-indol-4-amine
PubChem CID130281332
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3a,4-dihydro-1H-indol-4-amine
SMILESNC1C=CC=C2NC=CC21
InChIInChI=1S/C8H10N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-7,10H,9H2
InChIKeyCYZKUGPUGJDKMN-UHFFFAOYSA-N
XLogP0.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20577477
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CID 68403127
2-(Azetidin-3-yl)-3-fluoro-1,2-dihydropyridine
CID 90228826
(2E,6E)-5,9-difluoro-4,5,7a,11a-tetrahydro-1H-1-benzazonine
CID 135193069
2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine
CID 154997179
5,6-difluoro-3a,7a-dihydro-1H-indole
CID 164121624
2,3,4,5-Tetrahydro-b-carboline
CID 129701648
3a,7a-dihydro-1H-indole-5-carbonitrile
CID 146164062
N-methyl-3a,7a-dihydro-1H-indol-5-amine
CID 18345362
2-methyl-3a,7a-dihydro-1H-indole
CID 19853076

Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydro-1H-indol-4-amine?
The IUPAC name of 3a,4-dihydro-1H-indol-4-amine (CID 130281332) is 3a,4-dihydro-1H-indol-4-amine.
What is the SMILES notation for 3a,4-dihydro-1H-indol-4-amine?
The canonical SMILES for 3a,4-dihydro-1H-indol-4-amine is NC1C=CC=C2NC=CC21.
What is the InChIKey of 3a,4-dihydro-1H-indol-4-amine?
The InChIKey is CYZKUGPUGJDKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-7,10H,9H2.
What are the key properties of 3a,4-dihydro-1H-indol-4-amine?
3a,4-dihydro-1H-indol-4-amine has a molecular weight of 134.18 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydro-1H-indol-4-amine is sourced from PubChem (CID 130281332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).