1,2-dibenzylhydrazine;ethane;2-methylbutane

C21H34N2 — CID 145412701

IUPAC1,2-dibenzylhydrazine;ethane;2-methylbutane
SMILESCC.CCC(C)C.c1ccc(CNNCc2ccccc2)cc1
InChIInChI=1S/C14H16N2.C5H12.C2H6/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14;1-4-5(2)3;1-2/h1-10,15-16H,11-12H2;5H,4H2,1-3H3;1-2H3
InChIKeyNCPQAGNLERHJKH-UHFFFAOYSA-N
MW314.52 g/mol
LogP5.56
Rot. Bonds6

About 1,2-dibenzylhydrazine;ethane;2-methylbutane

1,2-dibenzylhydrazine;ethane;2-methylbutane (PubChem CID 145412701) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1,2-dibenzylhydrazine;ethane;2-methylbutane.

Molecular Properties

Compound Name1,2-dibenzylhydrazine;ethane;2-methylbutane
PubChem CID145412701
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name1,2-dibenzylhydrazine;ethane;2-methylbutane
SMILESCC.CCC(C)C.c1ccc(CNNCc2ccccc2)cc1
InChIInChI=1S/C14H16N2.C5H12.C2H6/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14;1-4-5(2)3;1-2/h1-10,15-16H,11-12H2;5H,4H2,1-3H3;1-2H3
InChIKeyNCPQAGNLERHJKH-UHFFFAOYSA-N
XLogP5.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;2-methylbutane;tris(2-phenylethylbenzene)
CID 159124725
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
N-benzyl-5-methylhexan-2-amine
CID 43177530
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
ethane;2-methylbutane;triphenylsulfanium
CID 165080585
2-methylbutane;methylsulfanylmethylbenzene
CID 143884311
ethane;2-methylpropylbenzene
CID 162200929
N-benzyl-1-silylethanamine
CID 173405128
[(2S,3S)-1-(2-benzylhydrazinyl)-3-methyl-1-oxopentan-2-yl]carbamic acid
CID 68685259
N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62561843

Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzylhydrazine;ethane;2-methylbutane?
The IUPAC name of 1,2-dibenzylhydrazine;ethane;2-methylbutane (CID 145412701) is 1,2-dibenzylhydrazine;ethane;2-methylbutane.
What is the SMILES notation for 1,2-dibenzylhydrazine;ethane;2-methylbutane?
The canonical SMILES for 1,2-dibenzylhydrazine;ethane;2-methylbutane is CC.CCC(C)C.c1ccc(CNNCc2ccccc2)cc1.
What is the InChIKey of 1,2-dibenzylhydrazine;ethane;2-methylbutane?
The InChIKey is NCPQAGNLERHJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C5H12.C2H6/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14;1-4-5(2)3;1-2/h1-10,15-16H,11-12H2;5H,4H2,1-3H3;1-2H3.
What are the key properties of 1,2-dibenzylhydrazine;ethane;2-methylbutane?
1,2-dibenzylhydrazine;ethane;2-methylbutane has a molecular weight of 314.52 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzylhydrazine;ethane;2-methylbutane is sourced from PubChem (CID 145412701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).