1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine

C10H19N3 — CID 118548920

IUPAC1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine
SMILESCN(N)CC1C=CCC2NCCC12
InChIInChI=1S/C10H19N3/c1-13(11)7-8-3-2-4-10-9(8)5-6-12-10/h2-3,8-10,12H,4-7,11H2,1H3
InChIKeyKUEBFZVFTSUXLZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.35
Rot. Bonds2

About 1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine

1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine (PubChem CID 118548920) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine.

Molecular Properties

Compound Name1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine
PubChem CID118548920
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine
SMILESCN(N)CC1C=CCC2NCCC12
InChIInChI=1S/C10H19N3/c1-13(11)7-8-3-2-4-10-9(8)5-6-12-10/h2-3,8-10,12H,4-7,11H2,1H3
InChIKeyKUEBFZVFTSUXLZ-UHFFFAOYSA-N
XLogP0.35
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine?
The IUPAC name of 1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine (CID 118548920) is 1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine.
What is the SMILES notation for 1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine?
The canonical SMILES for 1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine is CN(N)CC1C=CCC2NCCC12.
What is the InChIKey of 1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine?
The InChIKey is KUEBFZVFTSUXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-13(11)7-8-3-2-4-10-9(8)5-6-12-10/h2-3,8-10,12H,4-7,11H2,1H3.
What are the key properties of 1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine?
1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine has a molecular weight of 181.28 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,7,7a-hexahydro-1H-indol-4-ylmethyl)-1-methylhydrazine is sourced from PubChem (CID 118548920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).