[1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine

C16H28N2O — CID 114211444

IUPAC[1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
SMILESCOc1cccc(CC(CCCC(C)(C)C)NN)c1
InChIInChI=1S/C16H28N2O/c1-16(2,3)10-6-8-14(18-17)11-13-7-5-9-15(12-13)19-4/h5,7,9,12,14,18H,6,8,10-11,17H2,1-4H3
InChIKeyTWXAKWKTSVHYHC-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.29
Rot. Bonds7

About [1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine

[1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine (PubChem CID 114211444) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
PubChem CID114211444
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name[1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
SMILESCOc1cccc(CC(CCCC(C)(C)C)NN)c1
InChIInChI=1S/C16H28N2O/c1-16(2,3)10-6-8-14(18-17)11-13-7-5-9-15(12-13)19-4/h5,7,9,12,14,18H,6,8,10-11,17H2,1-4H3
InChIKeyTWXAKWKTSVHYHC-UHFFFAOYSA-N
XLogP3.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.29
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

[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295390
[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
[5,5-dimethyl-1-(3-methylphenyl)hexan-2-yl]hydrazine
CID 105208965
[4-(furan-2-yl)-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295310
[1-(2-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211443
[1-(3-chlorophenoxy)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211647
[1-(furan-2-yl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205240
1-[2-(bromomethyl)-5,5-dimethylhexyl]-3-methoxybenzene
CID 66041331
[1-(3-methoxyphenyl)-4-methylpent-3-en-2-yl]hydrazine
CID 105205312
[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190967

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine?
The IUPAC name of [1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine (CID 114211444) is [1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine?
The canonical SMILES for [1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine is COc1cccc(CC(CCCC(C)(C)C)NN)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine?
The InChIKey is TWXAKWKTSVHYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)10-6-8-14(18-17)11-13-7-5-9-15(12-13)19-4/h5,7,9,12,14,18H,6,8,10-11,17H2,1-4H3.
What are the key properties of [1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine?
[1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine has a molecular weight of 264.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine is sourced from PubChem (CID 114211444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).