N,N-bis(4-tert-butylphenyl)pyridin-2-amine

C25H30N2 — CID 170994719

IUPACN,N-bis(4-tert-butylphenyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1
InChIInChI=1S/C25H30N2/c1-24(2,3)19-10-14-21(15-11-19)27(23-9-7-8-18-26-23)22-16-12-20(13-17-22)25(4,5)6/h7-18H,1-6H3
InChIKeyCVWHEBVMKUUVDX-UHFFFAOYSA-N
MW358.53 g/mol
LogP7.15
Rot. Bonds3

About N,N-bis(4-tert-butylphenyl)pyridin-2-amine

N,N-bis(4-tert-butylphenyl)pyridin-2-amine (PubChem CID 170994719) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)pyridin-2-amine
PubChem CID170994719
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC NameN,N-bis(4-tert-butylphenyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1
InChIInChI=1S/C25H30N2/c1-24(2,3)19-10-14-21(15-11-19)27(23-9-7-8-18-26-23)22-16-12-20(13-17-22)25(4,5)6/h7-18H,1-6H3
InChIKeyCVWHEBVMKUUVDX-UHFFFAOYSA-N
XLogP7.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)pyridin-2-amine?
The IUPAC name of N,N-bis(4-tert-butylphenyl)pyridin-2-amine (CID 170994719) is N,N-bis(4-tert-butylphenyl)pyridin-2-amine.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)pyridin-2-amine?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)pyridin-2-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)pyridin-2-amine?
The InChIKey is CVWHEBVMKUUVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-24(2,3)19-10-14-21(15-11-19)27(23-9-7-8-18-26-23)22-16-12-20(13-17-22)25(4,5)6/h7-18H,1-6H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)pyridin-2-amine?
N,N-bis(4-tert-butylphenyl)pyridin-2-amine has a molecular weight of 358.53 g/mol, XLogP of 7.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)pyridin-2-amine is sourced from PubChem (CID 170994719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).