2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline

C19H31N — CID 103561254

IUPAC2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCC(C)c1ccc(NC2CC(C(C)C)C2)c(C(C)C)c1
InChIInChI=1S/C19H31N/c1-12(2)15-7-8-19(18(11-15)14(5)6)20-17-9-16(10-17)13(3)4/h7-8,11-14,16-17,20H,9-10H2,1-6H3
InChIKeyDXVBYPHNVHUSSR-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.78
Rot. Bonds5

About 2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline

2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline (PubChem CID 103561254) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline
PubChem CID103561254
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCC(C)c1ccc(NC2CC(C(C)C)C2)c(C(C)C)c1
InChIInChI=1S/C19H31N/c1-12(2)15-7-8-19(18(11-15)14(5)6)20-17-9-16(10-17)13(3)4/h7-8,11-14,16-17,20H,9-10H2,1-6H3
InChIKeyDXVBYPHNVHUSSR-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline
CID 64732806
N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81466521
N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline
CID 64501064
N-(3,3-dimethylcyclopentyl)-2,4-di(propan-2-yl)aniline
CID 80705917
N-cyclohexyl-2,5-di(propan-2-yl)aniline
CID 170213032
2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419203
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
1-[2,4-di(propan-2-yl)phenyl]-2-(2-propan-2-ylphenyl)hydrazine
CID 57083210
2,6-dimethyl-N-(3-propan-2-ylcyclobutyl)pyridin-3-amine
CID 103562090
methyl 3-methyl-4-[(3-propan-2-ylcyclobutyl)amino]benzoate
CID 103561438
N-pentan-3-yl-2,4-di(propan-2-yl)aniline
CID 43693580
2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 116675423

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline?
The IUPAC name of 2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline (CID 103561254) is 2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline.
What is the SMILES notation for 2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline?
The canonical SMILES for 2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline is CC(C)c1ccc(NC2CC(C(C)C)C2)c(C(C)C)c1.
What is the InChIKey of 2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline?
The InChIKey is DXVBYPHNVHUSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-12(2)15-7-8-19(18(11-15)14(5)6)20-17-9-16(10-17)13(3)4/h7-8,11-14,16-17,20H,9-10H2,1-6H3.
What are the key properties of 2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline?
2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline has a molecular weight of 273.46 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline is sourced from PubChem (CID 103561254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).