N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine

C29H32N2 — CID 142235391

IUPACN-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine
SMILESCCc1ccc(C(C)(C)C)cc1Nc1ccc(-c2cnc(C)c(C)c2)c2ccccc12
InChIInChI=1S/C29H32N2/c1-7-21-12-13-23(29(4,5)6)17-28(21)31-27-15-14-24(25-10-8-9-11-26(25)27)22-16-19(2)20(3)30-18-22/h8-18,31H,7H2,1-6H3
InChIKeyBJVZVWXZZSMJLE-UHFFFAOYSA-N
MW408.59 g/mol
LogP8.12
Rot. Bonds4

About N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine

N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine (PubChem CID 142235391) has the molecular formula C29H32N2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine
PubChem CID142235391
Molecular FormulaC29H32N2
Molecular Weight408.59 g/mol
Exact Mass408.26
IUPAC NameN-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine
SMILESCCc1ccc(C(C)(C)C)cc1Nc1ccc(-c2cnc(C)c(C)c2)c2ccccc12
InChIInChI=1S/C29H32N2/c1-7-21-12-13-23(29(4,5)6)17-28(21)31-27-15-14-24(25-10-8-9-11-26(25)27)22-16-19(2)20(3)30-18-22/h8-18,31H,7H2,1-6H3
InChIKeyBJVZVWXZZSMJLE-UHFFFAOYSA-N
XLogP8.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine?
The IUPAC name of N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine (CID 142235391) is N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine.
What is the SMILES notation for N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine?
The canonical SMILES for N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine is CCc1ccc(C(C)(C)C)cc1Nc1ccc(-c2cnc(C)c(C)c2)c2ccccc12.
What is the InChIKey of N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine?
The InChIKey is BJVZVWXZZSMJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2/c1-7-21-12-13-23(29(4,5)6)17-28(21)31-27-15-14-24(25-10-8-9-11-26(25)27)22-16-19(2)20(3)30-18-22/h8-18,31H,7H2,1-6H3.
What are the key properties of N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine?
N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine has a molecular weight of 408.59 g/mol, XLogP of 8.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-ethylphenyl)-4-(5,6-dimethyl-3-pyridinyl)naphthalen-1-amine is sourced from PubChem (CID 142235391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).