N-hexadecylnaphthalen-2-amine

C26H41N — CID 12796089

IUPACN-hexadecylnaphthalen-2-amine
SMILESCCCCCCCCCCCCCCCCNc1ccc2ccccc2c1
InChIInChI=1S/C26H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-27-26-21-20-24-18-15-16-19-25(24)23-26/h15-16,18-21,23,27H,2-14,17,22H2,1H3
InChIKeyWVIDCMULCDYCES-UHFFFAOYSA-N
MW367.62 g/mol
LogP8.73
Rot. Bonds16

About N-hexadecylnaphthalen-2-amine

N-hexadecylnaphthalen-2-amine (PubChem CID 12796089) has the molecular formula C26H41N and a molecular weight of 367.62 g/mol. Its IUPAC name is N-hexadecylnaphthalen-2-amine.

Molecular Properties

Compound NameN-hexadecylnaphthalen-2-amine
PubChem CID12796089
Molecular FormulaC26H41N
Molecular Weight367.62 g/mol
Exact Mass367.32
IUPAC NameN-hexadecylnaphthalen-2-amine
SMILESCCCCCCCCCCCCCCCCNc1ccc2ccccc2c1
InChIInChI=1S/C26H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-27-26-21-20-24-18-15-16-19-25(24)23-26/h15-16,18-21,23,27H,2-14,17,22H2,1H3
InChIKeyWVIDCMULCDYCES-UHFFFAOYSA-N
XLogP8.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 58.73
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

N-hexylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaen-18-amine
CID 89117611
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N'-naphthalen-2-ylhexane-1,6-diamine
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N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
nonane;N-phenylnaphthalen-2-amine
CID 159912384
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
N-nonadecylaniline
CID 54509054
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
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N-heptylaniline;hydrate
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5-(naphthalen-2-ylamino)pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-hexadecylnaphthalen-2-amine?
The IUPAC name of N-hexadecylnaphthalen-2-amine (CID 12796089) is N-hexadecylnaphthalen-2-amine.
What is the SMILES notation for N-hexadecylnaphthalen-2-amine?
The canonical SMILES for N-hexadecylnaphthalen-2-amine is CCCCCCCCCCCCCCCCNc1ccc2ccccc2c1.
What is the InChIKey of N-hexadecylnaphthalen-2-amine?
The InChIKey is WVIDCMULCDYCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-27-26-21-20-24-18-15-16-19-25(24)23-26/h15-16,18-21,23,27H,2-14,17,22H2,1H3.
What are the key properties of N-hexadecylnaphthalen-2-amine?
N-hexadecylnaphthalen-2-amine has a molecular weight of 367.62 g/mol, XLogP of 8.73, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecylnaphthalen-2-amine is sourced from PubChem (CID 12796089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).