1-decyl-N-methylnaphthalen-2-amine

C21H31N — CID 174691117

IUPAC1-decyl-N-methylnaphthalen-2-amine
SMILESCCCCCCCCCCc1c(NC)ccc2ccccc12
InChIInChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-15-20-19-14-12-11-13-18(19)16-17-21(20)22-2/h11-14,16-17,22H,3-10,15H2,1-2H3
InChIKeyUNRJKQANGDULQK-UHFFFAOYSA-N
MW297.49 g/mol
LogP6.56
Rot. Bonds10

About 1-decyl-N-methylnaphthalen-2-amine

1-decyl-N-methylnaphthalen-2-amine (PubChem CID 174691117) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-decyl-N-methylnaphthalen-2-amine.

Molecular Properties

Compound Name1-decyl-N-methylnaphthalen-2-amine
PubChem CID174691117
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name1-decyl-N-methylnaphthalen-2-amine
SMILESCCCCCCCCCCc1c(NC)ccc2ccccc12
InChIInChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-15-20-19-14-12-11-13-18(19)16-17-21(20)22-2/h11-14,16-17,22H,3-10,15H2,1-2H3
InChIKeyUNRJKQANGDULQK-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

N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine
CID 70635504
1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
CID 66933436
CID 66933436
CID 162312155
CID 162312155
3-decyl-N-methylnaphthalen-1-amine
CID 175279970
heptane;phenanthrene
CID 157482146
2-hexyl-1-propylnaphthalene
CID 173300538
1,2,3-trioctylnaphthalene
CID 20513034
3-decyl-N-methylnaphthalen-2-amine
CID 174703904
2-pentyl-1-propylnaphthalene
CID 173391876
2-decyl-1-methylnaphthalene
CID 154261310

Frequently Asked Questions

What is the IUPAC name of 1-decyl-N-methylnaphthalen-2-amine?
The IUPAC name of 1-decyl-N-methylnaphthalen-2-amine (CID 174691117) is 1-decyl-N-methylnaphthalen-2-amine.
What is the SMILES notation for 1-decyl-N-methylnaphthalen-2-amine?
The canonical SMILES for 1-decyl-N-methylnaphthalen-2-amine is CCCCCCCCCCc1c(NC)ccc2ccccc12.
What is the InChIKey of 1-decyl-N-methylnaphthalen-2-amine?
The InChIKey is UNRJKQANGDULQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c1-3-4-5-6-7-8-9-10-15-20-19-14-12-11-13-18(19)16-17-21(20)22-2/h11-14,16-17,22H,3-10,15H2,1-2H3.
What are the key properties of 1-decyl-N-methylnaphthalen-2-amine?
1-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 1-decyl-N-methylnaphthalen-2-amine is sourced from PubChem (CID 174691117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).