[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine

C18H22N2S — CID 105308886

IUPAC[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine
SMILESNNC(CCc1cccs1)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H22N2S/c19-20-16(10-8-13-5-3-11-21-13)18-15-9-7-12-4-1-2-6-14(12)17(15)18/h1-6,11,15-18,20H,7-10,19H2
InChIKeyIXRCTSARIIZPGW-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.49
Rot. Bonds5

About [1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine

[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine (PubChem CID 105308886) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is [1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine
PubChem CID105308886
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine
SMILESNNC(CCc1cccs1)C1C2CCc3ccccc3C21
InChIInChI=1S/C18H22N2S/c19-20-16(10-8-13-5-3-11-21-13)18-15-9-7-12-4-1-2-6-14(12)17(15)18/h1-6,11,15-18,20H,7-10,19H2
InChIKeyIXRCTSARIIZPGW-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 65405145
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethylbutan-1-amine
CID 115778284
N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 65404001
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030390
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014958
[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291138
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclobutyl)methyl]hydrazine
CID 105340121
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 104986364
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol
CID 63773868
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015373
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 105322071

Frequently Asked Questions

What is the IUPAC name of [1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine?
The IUPAC name of [1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine (CID 105308886) is [1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine.
What is the SMILES notation for [1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine?
The canonical SMILES for [1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine is NNC(CCc1cccs1)C1C2CCc3ccccc3C21.
What is the InChIKey of [1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine?
The InChIKey is IXRCTSARIIZPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c19-20-16(10-8-13-5-3-11-21-13)18-15-9-7-12-4-1-2-6-14(12)17(15)18/h1-6,11,15-18,20H,7-10,19H2.
What are the key properties of [1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine?
[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine has a molecular weight of 298.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-thiophen-2-ylpropyl]hydrazine is sourced from PubChem (CID 105308886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).