3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine

C17H25N — CID 65171747

IUPAC3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine
SMILESCC(C)(C)c1ccc(CC2=CC(N)CCC2)cc1
InChIInChI=1S/C17H25N/c1-17(2,3)15-9-7-13(8-10-15)11-14-5-4-6-16(18)12-14/h7-10,12,16H,4-6,11,18H2,1-3H3
InChIKeyAUEUJNYJMADTID-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.96
Rot. Bonds2

About 3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine

3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine (PubChem CID 65171747) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine
PubChem CID65171747
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine
SMILESCC(C)(C)c1ccc(CC2=CC(N)CCC2)cc1
InChIInChI=1S/C17H25N/c1-17(2,3)15-9-7-13(8-10-15)11-14-5-4-6-16(18)12-14/h7-10,12,16H,4-6,11,18H2,1-3H3
InChIKeyAUEUJNYJMADTID-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)methyl]cyclohept-2-en-1-amine
CID 107383273
3-[(4-tert-butylphenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 65177028
3-[(4-tert-butylphenyl)methyl]cyclohept-2-en-1-one
CID 107382810
3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine
CID 107383055
3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol
CID 65177095
3-(4-tert-butylphenyl)cyclopent-2-en-1-amine
CID 65174409
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
3-[(4-tert-butylphenyl)methyl]cyclopent-2-en-1-one
CID 65174806
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine
CID 107383251
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
CID 103168467
2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61381555

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine?
The IUPAC name of 3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine (CID 65171747) is 3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine?
The canonical SMILES for 3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine is CC(C)(C)c1ccc(CC2=CC(N)CCC2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine?
The InChIKey is AUEUJNYJMADTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-17(2,3)15-9-7-13(8-10-15)11-14-5-4-6-16(18)12-14/h7-10,12,16H,4-6,11,18H2,1-3H3.
What are the key properties of 3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine?
3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 65171747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).