[6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine

C16H28N2 — CID 105300120

IUPAC[6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine
SMILESCc1cccc(CCC(CCC(C)(C)C)NN)c1
InChIInChI=1S/C16H28N2/c1-13-6-5-7-14(12-13)8-9-15(18-17)10-11-16(2,3)4/h5-7,12,15,18H,8-11,17H2,1-4H3
InChIKeyXEZLZNBYAQYVEF-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.59
Rot. Bonds6

About [6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine

[6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine (PubChem CID 105300120) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is [6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine.

Molecular Properties

Compound Name[6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine
PubChem CID105300120
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name[6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine
SMILESCc1cccc(CCC(CCC(C)(C)C)NN)c1
InChIInChI=1S/C16H28N2/c1-13-6-5-7-14(12-13)8-9-15(18-17)10-11-16(2,3)4/h5-7,12,15,18H,8-11,17H2,1-4H3
InChIKeyXEZLZNBYAQYVEF-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[5,5-dimethyl-1-(3-methylphenyl)hexan-2-yl]hydrazine
CID 105208965
[1-(3-methylphenyl)-5-phenylpentan-3-yl]hydrazine
CID 105285956
6,6-dimethyl-1-(3-methylphenyl)-N-propylheptan-3-amine
CID 105140177
[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105413124
[1-cyclobutyl-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105310186
[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
6-methoxy-N,6-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 103032202
[1-(furan-3-yl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105331898
[1-(2,3-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105298035
[1-(5-fluoro-2-methylphenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105378069
[4-(3-methylphenyl)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105332141
5-(3-methylphenyl)pent-1-en-3-ylhydrazine
CID 105318126

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine?
The IUPAC name of [6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine (CID 105300120) is [6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine.
What is the SMILES notation for [6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine?
The canonical SMILES for [6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine is Cc1cccc(CCC(CCC(C)(C)C)NN)c1.
What is the InChIKey of [6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine?
The InChIKey is XEZLZNBYAQYVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13-6-5-7-14(12-13)8-9-15(18-17)10-11-16(2,3)4/h5-7,12,15,18H,8-11,17H2,1-4H3.
What are the key properties of [6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine?
[6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine has a molecular weight of 248.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-1-(3-methylphenyl)heptan-3-yl]hydrazine is sourced from PubChem (CID 105300120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).