3-decyl-N-methylnaphthalen-2-amine

C21H31N — CID 174703904

IUPAC3-decyl-N-methylnaphthalen-2-amine
SMILESCCCCCCCCCCc1cc2ccccc2cc1NC
InChIInChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-15-20-16-18-13-11-12-14-19(18)17-21(20)22-2/h11-14,16-17,22H,3-10,15H2,1-2H3
InChIKeyBNNNTCYQSHVFLV-UHFFFAOYSA-N
MW297.49 g/mol
LogP6.56
Rot. Bonds10

About 3-decyl-N-methylnaphthalen-2-amine

3-decyl-N-methylnaphthalen-2-amine (PubChem CID 174703904) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-decyl-N-methylnaphthalen-2-amine.

Molecular Properties

Compound Name3-decyl-N-methylnaphthalen-2-amine
PubChem CID174703904
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name3-decyl-N-methylnaphthalen-2-amine
SMILESCCCCCCCCCCc1cc2ccccc2cc1NC
InChIInChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-15-20-16-18-13-11-12-14-19(18)17-21(20)22-2/h11-14,16-17,22H,3-10,15H2,1-2H3
InChIKeyBNNNTCYQSHVFLV-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

2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
1-dodecylpentacene
CID 141370235
3-decyl-N-methylnaphthalen-1-amine
CID 175279970
4-decyl-N-methylnaphthalen-2-amine
CID 174691059
1-tetradecylnaphthalene
CID 14402128
lithium;1-hexylanthracene;hydride
CID 174350658
1-decyl-N-methylnaphthalen-2-amine
CID 174691117
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073

Frequently Asked Questions

What is the IUPAC name of 3-decyl-N-methylnaphthalen-2-amine?
The IUPAC name of 3-decyl-N-methylnaphthalen-2-amine (CID 174703904) is 3-decyl-N-methylnaphthalen-2-amine.
What is the SMILES notation for 3-decyl-N-methylnaphthalen-2-amine?
The canonical SMILES for 3-decyl-N-methylnaphthalen-2-amine is CCCCCCCCCCc1cc2ccccc2cc1NC.
What is the InChIKey of 3-decyl-N-methylnaphthalen-2-amine?
The InChIKey is BNNNTCYQSHVFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-15-20-16-18-13-11-12-14-19(18)17-21(20)22-2/h11-14,16-17,22H,3-10,15H2,1-2H3.
What are the key properties of 3-decyl-N-methylnaphthalen-2-amine?
3-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 3-decyl-N-methylnaphthalen-2-amine is sourced from PubChem (CID 174703904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).