1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine

C28H38N2 — CID 175042996

IUPAC1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine
SMILESCCCCCCCCCC(C)(C)N(Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C28H38N2/c1-4-5-6-7-8-9-15-23-28(2,3)30(25-19-11-10-12-20-25)29-27-22-16-18-24-17-13-14-21-26(24)27/h10-14,16-22,29H,4-9,15,23H2,1-3H3
InChIKeyNRDYWZRKCCWKRG-UHFFFAOYSA-N
MW402.63 g/mol
LogP8.59
Rot. Bonds12

About 1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine

1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine (PubChem CID 175042996) has the molecular formula C28H38N2 and a molecular weight of 402.63 g/mol. Its IUPAC name is 1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine.

Molecular Properties

Compound Name1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine
PubChem CID175042996
Molecular FormulaC28H38N2
Molecular Weight402.63 g/mol
Exact Mass402.30
IUPAC Name1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine
SMILESCCCCCCCCCC(C)(C)N(Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C28H38N2/c1-4-5-6-7-8-9-15-23-28(2,3)30(25-19-11-10-12-20-25)29-27-22-16-18-24-17-13-14-21-26(24)27/h10-14,16-22,29H,4-9,15,23H2,1-3H3
InChIKeyNRDYWZRKCCWKRG-UHFFFAOYSA-N
XLogP8.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.63
LogP ≤ 58.59
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine?
The IUPAC name of 1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine (CID 175042996) is 1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine.
What is the SMILES notation for 1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine?
The canonical SMILES for 1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine is CCCCCCCCCC(C)(C)N(Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine?
The InChIKey is NRDYWZRKCCWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2/c1-4-5-6-7-8-9-15-23-28(2,3)30(25-19-11-10-12-20-25)29-27-22-16-18-24-17-13-14-21-26(24)27/h10-14,16-22,29H,4-9,15,23H2,1-3H3.
What are the key properties of 1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine?
1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine has a molecular weight of 402.63 g/mol, XLogP of 8.59, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylundecan-2-yl)-2-naphthalen-1-yl-1-phenylhydrazine is sourced from PubChem (CID 175042996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).