[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine

C15H25BrN2 — CID 105284555

IUPAC[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine
SMILESCCCCC(CC)C(Cc1cccc(Br)c1)NN
InChIInChI=1S/C15H25BrN2/c1-3-5-8-13(4-2)15(18-17)11-12-7-6-9-14(16)10-12/h6-7,9-10,13,15,18H,3-5,8,11,17H2,1-2H3
InChIKeyMBOHVGCNACAYKM-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.04
Rot. Bonds8

About [1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine

[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine (PubChem CID 105284555) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is [1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine
PubChem CID105284555
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine
SMILESCCCCC(CC)C(Cc1cccc(Br)c1)NN
InChIInChI=1S/C15H25BrN2/c1-3-5-8-13(4-2)15(18-17)11-12-7-6-9-14(16)10-12/h6-7,9-10,13,15,18H,3-5,8,11,17H2,1-2H3
InChIKeyMBOHVGCNACAYKM-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.04
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-bromophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528117
[1-(3-bromophenyl)-3-methylhexan-2-yl]hydrazine
CID 105284586
1-(3-bromophenyl)heptan-2-ylhydrazine
CID 105202849
[3-ethyl-1-(4-propan-2-ylphenyl)heptan-2-yl]hydrazine
CID 105297263
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
[3-ethyl-1-(3-fluoro-4-methoxyphenyl)heptan-2-yl]hydrazine
CID 105293002
[3-ethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-yl]hydrazine
CID 105299684
[1-(2-bromo-4-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105296661
[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105194822
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796
2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
[1-(3-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 102868832

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine (CID 105284555) is [1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine is CCCCC(CC)C(Cc1cccc(Br)c1)NN.
What is the InChIKey of [1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine?
The InChIKey is MBOHVGCNACAYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-3-5-8-13(4-2)15(18-17)11-12-7-6-9-14(16)10-12/h6-7,9-10,13,15,18H,3-5,8,11,17H2,1-2H3.
What are the key properties of [1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine?
[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine has a molecular weight of 313.28 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine is sourced from PubChem (CID 105284555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).