4-decyl-N-methylnaphthalen-2-amine

C21H31N — CID 174691059

IUPAC4-decyl-N-methylnaphthalen-2-amine
SMILESCCCCCCCCCCc1cc(NC)cc2ccccc12
InChIInChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-13-18-16-20(22-2)17-19-14-11-12-15-21(18)19/h11-12,14-17,22H,3-10,13H2,1-2H3
InChIKeyBJONIYLGEQNMOG-UHFFFAOYSA-N
MW297.49 g/mol
LogP6.56
Rot. Bonds10

About 4-decyl-N-methylnaphthalen-2-amine

4-decyl-N-methylnaphthalen-2-amine (PubChem CID 174691059) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-decyl-N-methylnaphthalen-2-amine.

Molecular Properties

Compound Name4-decyl-N-methylnaphthalen-2-amine
PubChem CID174691059
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name4-decyl-N-methylnaphthalen-2-amine
SMILESCCCCCCCCCCc1cc(NC)cc2ccccc12
InChIInChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-13-18-16-20(22-2)17-19-14-11-12-15-21(18)19/h11-12,14-17,22H,3-10,13H2,1-2H3
InChIKeyBJONIYLGEQNMOG-UHFFFAOYSA-N
XLogP6.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 56.56
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

1-tetradecylnaphthalene
CID 14402128
potassium 4-decylnaphthalene-2-sulfonate
CID 101317209
potassium 4-hexylnaphthalene-2-sulfonate
CID 101317155
potassium;hydride;1-octylnaphthalene
CID 173443599
1,2,3-trioctylnaphthalene
CID 20513034
3-decyl-N-methylnaphthalen-2-amine
CID 174703904
3-decyl-N-methylnaphthalen-1-amine
CID 175279970
1-dodecylpentacene
CID 141370235
3-pentylnaphthalene-1,2-diol
CID 14529620
2,3-dioctadecylpentacene
CID 91251003
2,3-diheptylanthracene
CID 14089075
1,2-didecylnaphthalene
CID 22410831

Frequently Asked Questions

What is the IUPAC name of 4-decyl-N-methylnaphthalen-2-amine?
The IUPAC name of 4-decyl-N-methylnaphthalen-2-amine (CID 174691059) is 4-decyl-N-methylnaphthalen-2-amine.
What is the SMILES notation for 4-decyl-N-methylnaphthalen-2-amine?
The canonical SMILES for 4-decyl-N-methylnaphthalen-2-amine is CCCCCCCCCCc1cc(NC)cc2ccccc12.
What is the InChIKey of 4-decyl-N-methylnaphthalen-2-amine?
The InChIKey is BJONIYLGEQNMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-13-18-16-20(22-2)17-19-14-11-12-15-21(18)19/h11-12,14-17,22H,3-10,13H2,1-2H3.
What are the key properties of 4-decyl-N-methylnaphthalen-2-amine?
4-decyl-N-methylnaphthalen-2-amine has a molecular weight of 297.49 g/mol, XLogP of 6.56, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-N-methylnaphthalen-2-amine is sourced from PubChem (CID 174691059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).