2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine

C19H24N2 — CID 81416387

IUPAC2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H24N2/c1-3-19(4-2)17(13-18(19)20)16-7-5-14(6-8-16)15-9-11-21-12-10-15/h5-12,17-18H,3-4,13,20H2,1-2H3
InChIKeyWNAIHJBGSRJFMU-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.37
Rot. Bonds4

About 2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine

2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine (PubChem CID 81416387) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine
PubChem CID81416387
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H24N2/c1-3-19(4-2)17(13-18(19)20)16-7-5-14(6-8-16)15-9-11-21-12-10-15/h5-12,17-18H,3-4,13,20H2,1-2H3
InChIKeyWNAIHJBGSRJFMU-UHFFFAOYSA-N
XLogP4.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine (CID 81416387) is 2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine is CCC1(CC)C(N)CC1c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine?
The InChIKey is WNAIHJBGSRJFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-3-19(4-2)17(13-18(19)20)16-7-5-14(6-8-16)15-9-11-21-12-10-15/h5-12,17-18H,3-4,13,20H2,1-2H3.
What are the key properties of 2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine?
2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 81416387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).