1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine

C20H40N2 — CID 57490377

IUPAC1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine
SMILESCC1CCC(C(C)C)C(NNC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C20H40N2/c1-13(2)17-9-7-15(5)11-19(17)21-22-20-12-16(6)8-10-18(20)14(3)4/h13-22H,7-12H2,1-6H3
InChIKeyYKXQVQGJHYERHN-UHFFFAOYSA-N
MW308.55 g/mol
LogP5.00
Rot. Bonds5

About 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine

1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine (PubChem CID 57490377) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine.

Molecular Properties

Compound Name1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine
PubChem CID57490377
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine
SMILESCC1CCC(C(C)C)C(NNC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C20H40N2/c1-13(2)17-9-7-15(5)11-19(17)21-22-20-12-16(6)8-10-18(20)14(3)4/h13-22H,7-12H2,1-6H3
InChIKeyYKXQVQGJHYERHN-UHFFFAOYSA-N
XLogP5.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine?
The IUPAC name of 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine (CID 57490377) is 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine.
What is the SMILES notation for 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine?
The canonical SMILES for 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine is CC1CCC(C(C)C)C(NNC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine?
The InChIKey is YKXQVQGJHYERHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-13(2)17-9-7-15(5)11-19(17)21-22-20-12-16(6)8-10-18(20)14(3)4/h13-22H,7-12H2,1-6H3.
What are the key properties of 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine?
1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine has a molecular weight of 308.55 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(5-methyl-2-propan-2-ylcyclohexyl)hydrazine is sourced from PubChem (CID 57490377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).