N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline

C24H29N — CID 132545214

IUPACN,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline
SMILESCN(C)c1ccc(CCCCCCc2cccc3ccccc23)cc1
InChIInChI=1S/C24H29N/c1-25(2)23-18-16-20(17-19-23)10-5-3-4-6-11-21-13-9-14-22-12-7-8-15-24(21)22/h7-9,12-19H,3-6,10-11H2,1-2H3
InChIKeyCJWRAIJHXVQMOP-UHFFFAOYSA-N
MW331.50 g/mol
LogP6.25
Rot. Bonds8

About N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline

N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline (PubChem CID 132545214) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline
PubChem CID132545214
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC NameN,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline
SMILESCN(C)c1ccc(CCCCCCc2cccc3ccccc23)cc1
InChIInChI=1S/C24H29N/c1-25(2)23-18-16-20(17-19-23)10-5-3-4-6-11-21-13-9-14-22-12-7-8-15-24(21)22/h7-9,12-19H,3-6,10-11H2,1-2H3
InChIKeyCJWRAIJHXVQMOP-UHFFFAOYSA-N
XLogP6.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(6-phenanthren-9-ylhexyl)aniline
CID 86151153
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
1-tetradecylnaphthalene
CID 14402128
4-heptyl-N,N-dimethylaniline
CID 20777180
potassium;hydride;1-octylnaphthalene
CID 173443599
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine
CID 70613686
4-(6-bromohexyl)-N,N-dimethylaniline
CID 142754958
8-naphthalen-1-yloctan-1-amine
CID 100987116
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059357
1-(4-fluorobutyl)naphthalene
CID 174977280
1-butylnaphthalene;ethane
CID 142087052
1-(4-methoxybutyl)naphthalene
CID 69278949

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline?
The IUPAC name of N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline (CID 132545214) is N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline is CN(C)c1ccc(CCCCCCc2cccc3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline?
The InChIKey is CJWRAIJHXVQMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-25(2)23-18-16-20(17-19-23)10-5-3-4-6-11-21-13-9-14-22-12-7-8-15-24(21)22/h7-9,12-19H,3-6,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline?
N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline has a molecular weight of 331.50 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(6-naphthalen-1-ylhexyl)aniline is sourced from PubChem (CID 132545214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).