2-hexadecylnaphthalen-1-amine

C26H41N — CID 57354886

IUPAC2-hexadecylnaphthalen-1-amine
SMILESCCCCCCCCCCCCCCCCc1ccc2ccccc2c1N
InChIInChI=1S/C26H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-22-21-23-18-16-17-20-25(23)26(24)27/h16-18,20-22H,2-15,19,27H2,1H3
InChIKeyFGQDLNTWKPBPHF-UHFFFAOYSA-N
MW367.62 g/mol
LogP8.45
Rot. Bonds15

About 2-hexadecylnaphthalen-1-amine

2-hexadecylnaphthalen-1-amine (PubChem CID 57354886) has the molecular formula C26H41N and a molecular weight of 367.62 g/mol. Its IUPAC name is 2-hexadecylnaphthalen-1-amine.

Molecular Properties

Compound Name2-hexadecylnaphthalen-1-amine
PubChem CID57354886
Molecular FormulaC26H41N
Molecular Weight367.62 g/mol
Exact Mass367.32
IUPAC Name2-hexadecylnaphthalen-1-amine
SMILESCCCCCCCCCCCCCCCCc1ccc2ccccc2c1N
InChIInChI=1S/C26H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-22-21-23-18-16-17-20-25(23)26(24)27/h16-18,20-22H,2-15,19,27H2,1H3
InChIKeyFGQDLNTWKPBPHF-UHFFFAOYSA-N
XLogP8.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-dodecylphenyl)naphthalen-1-amine
CID 67724927
2-undecylnaphthalen-1-ol
CID 139729579
1,2-didecylnaphthalene
CID 22410831
2-decyl-1-methylnaphthalene
CID 154261310
1,2-di(icosyl)naphthalene
CID 90782201
CID 66933436
CID 66933436
2-hexyl-1-propylnaphthalene
CID 173300538
CID 162312155
CID 162312155
1-tetradecylnaphthalene
CID 14402128
2-[3-(dimethylamino)propyl]naphthalen-1-amine
CID 19734899
(2-pentylnaphthalen-1-yl)methanamine
CID 57296972
2-undecylnaphthalene-1,4-diamine
CID 151031394

Frequently Asked Questions

What is the IUPAC name of 2-hexadecylnaphthalen-1-amine?
The IUPAC name of 2-hexadecylnaphthalen-1-amine (CID 57354886) is 2-hexadecylnaphthalen-1-amine.
What is the SMILES notation for 2-hexadecylnaphthalen-1-amine?
The canonical SMILES for 2-hexadecylnaphthalen-1-amine is CCCCCCCCCCCCCCCCc1ccc2ccccc2c1N.
What is the InChIKey of 2-hexadecylnaphthalen-1-amine?
The InChIKey is FGQDLNTWKPBPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-22-21-23-18-16-17-20-25(23)26(24)27/h16-18,20-22H,2-15,19,27H2,1H3.
What are the key properties of 2-hexadecylnaphthalen-1-amine?
2-hexadecylnaphthalen-1-amine has a molecular weight of 367.62 g/mol, XLogP of 8.45, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecylnaphthalen-1-amine is sourced from PubChem (CID 57354886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).