1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine

C17H30N2 — CID 138509930

IUPAC1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine
SMILESCCCC(CCC)NN(C)C1=CC2C=CCCC2C1
InChIInChI=1S/C17H30N2/c1-4-8-16(9-5-2)18-19(3)17-12-14-10-6-7-11-15(14)13-17/h6,10,12,14-16,18H,4-5,7-9,11,13H2,1-3H3
InChIKeyWRMQHNGDBXCYAS-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.26
Rot. Bonds7

About 1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine

1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine (PubChem CID 138509930) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine.

Molecular Properties

Compound Name1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine
PubChem CID138509930
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine
SMILESCCCC(CCC)NN(C)C1=CC2C=CCCC2C1
InChIInChI=1S/C17H30N2/c1-4-8-16(9-5-2)18-19(3)17-12-14-10-6-7-11-15(14)13-17/h6,10,12,14-16,18H,4-5,7-9,11,13H2,1-3H3
InChIKeyWRMQHNGDBXCYAS-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine?
The IUPAC name of 1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine (CID 138509930) is 1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine.
What is the SMILES notation for 1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine?
The canonical SMILES for 1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine is CCCC(CCC)NN(C)C1=CC2C=CCCC2C1.
What is the InChIKey of 1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine?
The InChIKey is WRMQHNGDBXCYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-8-16(9-5-2)18-19(3)17-12-14-10-6-7-11-15(14)13-17/h6,10,12,14-16,18H,4-5,7-9,11,13H2,1-3H3.
What are the key properties of 1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine?
1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine has a molecular weight of 262.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,6,7,7a-tetrahydro-1H-inden-2-yl)-2-heptan-4-yl-1-methylhydrazine is sourced from PubChem (CID 138509930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).