N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline

C20H33N — CID 63421494

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline
SMILESCCC(C)(C)C1CCC(Nc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C20H33N/c1-6-20(4,5)17-10-12-18(13-11-17)21-19-9-7-8-16(14-19)15(2)3/h7-9,14-15,17-18,21H,6,10-13H2,1-5H3
InChIKeyGNPRFVGXUJHHQB-UHFFFAOYSA-N
MW287.49 g/mol
LogP6.22
Rot. Bonds5

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline

N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline (PubChem CID 63421494) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline
PubChem CID63421494
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline
SMILESCCC(C)(C)C1CCC(Nc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C20H33N/c1-6-20(4,5)17-10-12-18(13-11-17)21-19-9-7-8-16(14-19)15(2)3/h7-9,14-15,17-18,21H,6,10-13H2,1-5H3
InChIKeyGNPRFVGXUJHHQB-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63418757
3-chloro-4-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422035
N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline
CID 104870345
N-(3-propan-2-ylphenyl)oxepan-4-amine
CID 65076670
N-(3-propan-2-ylphenyl)azepan-4-amine
CID 113361401
N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512915
N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 43204585
2-fluoro-5-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
CID 63476589
4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 107621247

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline (CID 63421494) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline is CCC(C)(C)C1CCC(Nc2cccc(C(C)C)c2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline?
The InChIKey is GNPRFVGXUJHHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-20(4,5)17-10-12-18(13-11-17)21-19-9-7-8-16(14-19)15(2)3/h7-9,14-15,17-18,21H,6,10-13H2,1-5H3.
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline has a molecular weight of 287.49 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline is sourced from PubChem (CID 63421494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).