2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline

C18H29N — CID 63419203

IUPAC2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)c1ccccc1NC1CCC(C(C)C)CC1
InChIInChI=1S/C18H29N/c1-13(2)15-9-11-16(12-10-15)19-18-8-6-5-7-17(18)14(3)4/h5-8,13-16,19H,9-12H2,1-4H3
InChIKeySDTUVZIFOFBYIH-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.44
Rot. Bonds4

About 2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline

2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline (PubChem CID 63419203) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
PubChem CID63419203
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)c1ccccc1NC1CCC(C(C)C)CC1
InChIInChI=1S/C18H29N/c1-13(2)15-9-11-16(12-10-15)19-18-8-6-5-7-17(18)14(3)4/h5-8,13-16,19H,9-12H2,1-4H3
InChIKeySDTUVZIFOFBYIH-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
N-(2-propan-2-ylphenyl)piperidin-4-amine
CID 61016047
N-(1-cyclopropylethyl)-2-propan-2-ylaniline
CID 43192462
N-(2-tert-butylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086909
2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline
CID 62701624
N-(1-cyclohexylethyl)-2-propan-2-ylaniline
CID 43759431
2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 103478140
2-(2-propan-2-ylanilino)cyclohexan-1-ol
CID 60885259
4-(2-propan-2-ylanilino)azepan-2-one
CID 63903139
2-methyl-N-(2-propan-2-ylphenyl)oxolan-3-amine
CID 82716606
tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate
CID 103719611
N-(2-propan-2-ylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897852

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline (CID 63419203) is 2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline is CC(C)c1ccccc1NC1CCC(C(C)C)CC1.
What is the InChIKey of 2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline?
The InChIKey is SDTUVZIFOFBYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13(2)15-9-11-16(12-10-15)19-18-8-6-5-7-17(18)14(3)4/h5-8,13-16,19H,9-12H2,1-4H3.
What are the key properties of 2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline?
2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline has a molecular weight of 259.44 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 63419203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).