[1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine

C17H30N2 — CID 105289972

IUPAC[1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine
SMILESCCCC(CCC)C(Cc1ccc(C)c(C)c1)NN
InChIInChI=1S/C17H30N2/c1-5-7-16(8-6-2)17(19-18)12-15-10-9-13(3)14(4)11-15/h9-11,16-17,19H,5-8,12,18H2,1-4H3
InChIKeyBWGZZIXGPPQVAI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.89
Rot. Bonds8

About [1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine

[1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine (PubChem CID 105289972) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine
PubChem CID105289972
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name[1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine
SMILESCCCC(CCC)C(Cc1ccc(C)c(C)c1)NN
InChIInChI=1S/C17H30N2/c1-5-7-16(8-6-2)17(19-18)12-15-10-9-13(3)14(4)11-15/h9-11,16-17,19H,5-8,12,18H2,1-4H3
InChIKeyBWGZZIXGPPQVAI-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.89
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

1-(3,4-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82986935
[1-(3,4-dimethylphenyl)-3-methylpentan-2-yl]hydrazine
CID 105215198
[1-(4-fluorophenyl)-3-propylhexan-2-yl]hydrazine
CID 105283723
[1-(3-fluorophenyl)-3-propylhexan-2-yl]hydrazine
CID 105286352
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
1-(4-methylphenyl)-N,3-dipropylhexan-2-amine
CID 82987030
2-[(3,4-dimethylphenyl)methyl]-N-propylpentan-1-amine
CID 63497107
[1-(3,4-dimethylphenyl)-3-propoxypropan-2-yl]hydrazine
CID 105210031
[3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine
CID 105293002
1-(4-chloro-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 107891790
4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
CID 121339044
[1-(3,4-dimethylphenyl)-3-methoxypropan-2-yl]hydrazine
CID 105207252

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine (CID 105289972) is [1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine is CCCC(CCC)C(Cc1ccc(C)c(C)c1)NN.
What is the InChIKey of [1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine?
The InChIKey is BWGZZIXGPPQVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-16(8-6-2)17(19-18)12-15-10-9-13(3)14(4)11-15/h9-11,16-17,19H,5-8,12,18H2,1-4H3.
What are the key properties of [1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine?
[1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine has a molecular weight of 262.44 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)-3-propylhexan-2-yl]hydrazine is sourced from PubChem (CID 105289972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).