N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine

C35H51N — CID 70635504

IUPACN-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine
SMILESCCCCCCCCCCCCc1ccccc1Nc1ccc2ccccc2c1CCCCCCC
InChIInChI=1S/C35H51N/c1-3-5-7-9-10-11-12-13-15-16-23-31-24-19-21-27-34(31)36-35-29-28-30-22-18-20-25-32(30)33(35)26-17-14-8-6-4-2/h18-22,24-25,27-29,36H,3-17,23,26H2,1-2H3
InChIKeyGZYOXJXOVRTHSP-UHFFFAOYSA-N
MW485.80 g/mol
LogP11.56
Rot. Bonds19

About N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine

N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine (PubChem CID 70635504) has the molecular formula C35H51N and a molecular weight of 485.80 g/mol. Its IUPAC name is N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine
PubChem CID70635504
Molecular FormulaC35H51N
Molecular Weight485.80 g/mol
Exact Mass485.40
IUPAC NameN-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine
SMILESCCCCCCCCCCCCc1ccccc1Nc1ccc2ccccc2c1CCCCCCC
InChIInChI=1S/C35H51N/c1-3-5-7-9-10-11-12-13-15-16-23-31-24-19-21-27-34(31)36-35-29-28-30-22-18-20-25-32(30)33(35)26-17-14-8-6-4-2/h18-22,24-25,27-29,36H,3-17,23,26H2,1-2H3
InChIKeyGZYOXJXOVRTHSP-UHFFFAOYSA-N
XLogP11.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.80
LogP ≤ 511.56
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

1-decyl-N-methylnaphthalen-2-amine
CID 174691117
1,2-di(icosyl)naphthalene
CID 90782201
1,2-didecylnaphthalene
CID 22410831
N-[2,3-di(nonyl)phenyl]-2,3-di(nonyl)aniline
CID 89444406
CID 66933436
CID 66933436
CID 162312155
CID 162312155
N-(2-heptylphenyl)naphthalen-2-amine
CID 54314273
2-pentyl-N-phenylaniline
CID 20516677
2,3-dihexadecyl-N-phenylaniline
CID 139699998
2-hexyl-1-propylnaphthalene
CID 173300538
1-tetradecylnaphthalene
CID 14402128
1,2,3-trioctylnaphthalene
CID 20513034

Frequently Asked Questions

What is the IUPAC name of N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine?
The IUPAC name of N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine (CID 70635504) is N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine.
What is the SMILES notation for N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine?
The canonical SMILES for N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine is CCCCCCCCCCCCc1ccccc1Nc1ccc2ccccc2c1CCCCCCC.
What is the InChIKey of N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine?
The InChIKey is GZYOXJXOVRTHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N/c1-3-5-7-9-10-11-12-13-15-16-23-31-24-19-21-27-34(31)36-35-29-28-30-22-18-20-25-32(30)33(35)26-17-14-8-6-4-2/h18-22,24-25,27-29,36H,3-17,23,26H2,1-2H3.
What are the key properties of N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine?
N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine has a molecular weight of 485.80 g/mol, XLogP of 11.56, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dodecylphenyl)-1-heptylnaphthalen-2-amine is sourced from PubChem (CID 70635504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).