naphthalen-1-amine;N-nonyl-N-phenylaniline

C31H38N2 — CID 174946941

IUPACnaphthalen-1-amine;N-nonyl-N-phenylaniline
SMILESCCCCCCCCCN(c1ccccc1)c1ccccc1.Nc1cccc2ccccc12
InChIInChI=1S/C21H29N.C10H9N/c1-2-3-4-5-6-7-14-19-22(20-15-10-8-11-16-20)21-17-12-9-13-18-21;11-10-7-3-5-8-4-1-2-6-9(8)10/h8-13,15-18H,2-7,14,19H2,1H3;1-7H,11H2
InChIKeyHWJSIJKCGLLRGY-UHFFFAOYSA-N
MW438.66 g/mol
LogP9.00
Rot. Bonds10

About naphthalen-1-amine;N-nonyl-N-phenylaniline

naphthalen-1-amine;N-nonyl-N-phenylaniline (PubChem CID 174946941) has the molecular formula C31H38N2 and a molecular weight of 438.66 g/mol. Its IUPAC name is naphthalen-1-amine;N-nonyl-N-phenylaniline.

Molecular Properties

Compound Namenaphthalen-1-amine;N-nonyl-N-phenylaniline
PubChem CID174946941
Molecular FormulaC31H38N2
Molecular Weight438.66 g/mol
Exact Mass438.30
IUPAC Namenaphthalen-1-amine;N-nonyl-N-phenylaniline
SMILESCCCCCCCCCN(c1ccccc1)c1ccccc1.Nc1cccc2ccccc12
InChIInChI=1S/C21H29N.C10H9N/c1-2-3-4-5-6-7-14-19-22(20-15-10-8-11-16-20)21-17-12-9-13-18-21;11-10-7-3-5-8-4-1-2-6-9(8)10/h8-13,15-18H,2-7,14,19H2,1H3;1-7H,11H2
InChIKeyHWJSIJKCGLLRGY-UHFFFAOYSA-N
XLogP9.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

butane;N-octyl-N-phenylaniline
CID 175431375
benzene;N-octyl-N-phenylnaphthalen-2-amine
CID 174859594
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CID 70419495
3-(N-hexadecylanilino)phenol
CID 21083116
4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine
CID 18942806
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
N-hexyl-N-phenylthiophen-3-amine
CID 118311453
2-naphthalen-1-yl-1,1-dioctylhydrazine
CID 175148627
CID 135259743
CID 135259743
1-N-butyl-4-methyl-1-N-phenylbenzene-1,3-diamine
CID 64584977
2-chloro-4-N,6-N-didodecyl-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 154412006
N-heptyl-N-pentylaniline
CID 154378615

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-amine;N-nonyl-N-phenylaniline?
The IUPAC name of naphthalen-1-amine;N-nonyl-N-phenylaniline (CID 174946941) is naphthalen-1-amine;N-nonyl-N-phenylaniline.
What is the SMILES notation for naphthalen-1-amine;N-nonyl-N-phenylaniline?
The canonical SMILES for naphthalen-1-amine;N-nonyl-N-phenylaniline is CCCCCCCCCN(c1ccccc1)c1ccccc1.Nc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-amine;N-nonyl-N-phenylaniline?
The InChIKey is HWJSIJKCGLLRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N.C10H9N/c1-2-3-4-5-6-7-14-19-22(20-15-10-8-11-16-20)21-17-12-9-13-18-21;11-10-7-3-5-8-4-1-2-6-9(8)10/h8-13,15-18H,2-7,14,19H2,1H3;1-7H,11H2.
What are the key properties of naphthalen-1-amine;N-nonyl-N-phenylaniline?
naphthalen-1-amine;N-nonyl-N-phenylaniline has a molecular weight of 438.66 g/mol, XLogP of 9.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-amine;N-nonyl-N-phenylaniline is sourced from PubChem (CID 174946941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).