3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine

C18H25N — CID 116506807

IUPAC3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCC1(C)CC(c2ccc(C3CCC3)cc2)=CC(N)C1
InChIInChI=1S/C18H25N/c1-18(2)11-16(10-17(19)12-18)15-8-6-14(7-9-15)13-4-3-5-13/h6-10,13,17H,3-5,11-12,19H2,1-2H3
InChIKeyNXLVKVXYCASJBQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.48
Rot. Bonds2

About 3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine

3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 116506807) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID116506807
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCC1(C)CC(c2ccc(C3CCC3)cc2)=CC(N)C1
InChIInChI=1S/C18H25N/c1-18(2)11-16(10-17(19)12-18)15-8-6-14(7-9-15)13-4-3-5-13/h6-10,13,17H,3-5,11-12,19H2,1-2H3
InChIKeyNXLVKVXYCASJBQ-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-dimethyl-3-phenylcyclohex-2-en-1-amine
CID 65176854
3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177140
4-[4-(4-cyclohexylphenyl)phenyl]cyclohexan-1-amine
CID 139515276
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
3-(2,5-dimethylphenyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177305
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-(chloromethyl)-4-cyclobutylbenzene
CID 57236902
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 116507076
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine
CID 114272272
4-(4-cyclohexylphenyl)-2-methylaniline
CID 63424369

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine (CID 116506807) is 3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine is CC1(C)CC(c2ccc(C3CCC3)cc2)=CC(N)C1.
What is the InChIKey of 3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is NXLVKVXYCASJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-18(2)11-16(10-17(19)12-18)15-8-6-14(7-9-15)13-4-3-5-13/h6-10,13,17H,3-5,11-12,19H2,1-2H3.
What are the key properties of 3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine?
3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutylphenyl)-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 116506807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).