3-decyl-N-methylnaphthalen-1-amine

C21H31N — CID 175279970

IUPAC3-decyl-N-methylnaphthalen-1-amine
SMILESCCCCCCCCCCc1cc(NC)c2ccccc2c1
InChIInChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-13-18-16-19-14-11-12-15-20(19)21(17-18)22-2/h11-12,14-17,22H,3-10,13H2,1-2H3
InChIKeyBUDBQMQLHSWTEX-UHFFFAOYSA-N
MW297.49 g/mol
LogP6.56
Rot. Bonds10

About 3-decyl-N-methylnaphthalen-1-amine

3-decyl-N-methylnaphthalen-1-amine (PubChem CID 175279970) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-decyl-N-methylnaphthalen-1-amine.

Molecular Properties

Compound Name3-decyl-N-methylnaphthalen-1-amine
PubChem CID175279970
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name3-decyl-N-methylnaphthalen-1-amine
SMILESCCCCCCCCCCc1cc(NC)c2ccccc2c1
InChIInChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-13-18-16-19-14-11-12-15-20(19)21(17-18)22-2/h11-12,14-17,22H,3-10,13H2,1-2H3
InChIKeyBUDBQMQLHSWTEX-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

6-hexyl-N-methylnaphthalen-1-amine
CID 174703881
N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine
CID 171628469
1-naphthalen-1-yl-3-pentylnaphthalene
CID 23002709
1-decyl-N-methylnaphthalen-2-amine
CID 174691117
3-decyl-N-methylnaphthalen-2-amine
CID 174703904
4-decyl-N-methylnaphthalen-2-amine
CID 174691059
N-[(4-dodecylphenyl)methyl]naphthalen-1-amine
CID 71381127
calcium bis(3-decylnaphthalene-1-sulfonate)
CID 101317390
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
1-benzyl-3,5-dioctylbenzene
CID 22920470

Frequently Asked Questions

What is the IUPAC name of 3-decyl-N-methylnaphthalen-1-amine?
The IUPAC name of 3-decyl-N-methylnaphthalen-1-amine (CID 175279970) is 3-decyl-N-methylnaphthalen-1-amine.
What is the SMILES notation for 3-decyl-N-methylnaphthalen-1-amine?
The canonical SMILES for 3-decyl-N-methylnaphthalen-1-amine is CCCCCCCCCCc1cc(NC)c2ccccc2c1.
What is the InChIKey of 3-decyl-N-methylnaphthalen-1-amine?
The InChIKey is BUDBQMQLHSWTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-13-18-16-19-14-11-12-15-20(19)21(17-18)22-2/h11-12,14-17,22H,3-10,13H2,1-2H3.
What are the key properties of 3-decyl-N-methylnaphthalen-1-amine?
3-decyl-N-methylnaphthalen-1-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 3-decyl-N-methylnaphthalen-1-amine is sourced from PubChem (CID 175279970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).