N-(2-hexyldecyl)azulen-2-amine

C26H41N — CID 156790196

IUPACN-(2-hexyldecyl)azulen-2-amine
SMILESCCCCCCCCC(CCCCCC)CNc1cc2cccccc-2c1
InChIInChI=1S/C26H41N/c1-3-5-7-9-10-13-17-23(16-12-8-6-4-2)22-27-26-20-24-18-14-11-15-19-25(24)21-26/h11,14-15,18-21,23,27H,3-10,12-13,16-17,22H2,1-2H3
InChIKeyZNMRGQVBBMZNNE-UHFFFAOYSA-N
MW367.62 g/mol
LogP8.54
Rot. Bonds15

About N-(2-hexyldecyl)azulen-2-amine

N-(2-hexyldecyl)azulen-2-amine (PubChem CID 156790196) has the molecular formula C26H41N and a molecular weight of 367.62 g/mol. Its IUPAC name is N-(2-hexyldecyl)azulen-2-amine.

Molecular Properties

Compound NameN-(2-hexyldecyl)azulen-2-amine
PubChem CID156790196
Molecular FormulaC26H41N
Molecular Weight367.62 g/mol
Exact Mass367.32
IUPAC NameN-(2-hexyldecyl)azulen-2-amine
SMILESCCCCCCCCC(CCCCCC)CNc1cc2cccccc-2c1
InChIInChI=1S/C26H41N/c1-3-5-7-9-10-13-17-23(16-12-8-6-4-2)22-27-26-20-24-18-14-11-15-19-25(24)21-26/h11,14-15,18-21,23,27H,3-10,12-13,16-17,22H2,1-2H3
InChIKeyZNMRGQVBBMZNNE-UHFFFAOYSA-N
XLogP8.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-benzyl-N-methyldecan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-(2-hexyldecyl)azulen-2-amine?
The IUPAC name of N-(2-hexyldecyl)azulen-2-amine (CID 156790196) is N-(2-hexyldecyl)azulen-2-amine.
What is the SMILES notation for N-(2-hexyldecyl)azulen-2-amine?
The canonical SMILES for N-(2-hexyldecyl)azulen-2-amine is CCCCCCCCC(CCCCCC)CNc1cc2cccccc-2c1.
What is the InChIKey of N-(2-hexyldecyl)azulen-2-amine?
The InChIKey is ZNMRGQVBBMZNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N/c1-3-5-7-9-10-13-17-23(16-12-8-6-4-2)22-27-26-20-24-18-14-11-15-19-25(24)21-26/h11,14-15,18-21,23,27H,3-10,12-13,16-17,22H2,1-2H3.
What are the key properties of N-(2-hexyldecyl)azulen-2-amine?
N-(2-hexyldecyl)azulen-2-amine has a molecular weight of 367.62 g/mol, XLogP of 8.54, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hexyldecyl)azulen-2-amine is sourced from PubChem (CID 156790196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).