3-(4-tert-butylphenyl)cyclopent-2-en-1-amine

C15H21N — CID 65174409

IUPAC3-(4-tert-butylphenyl)cyclopent-2-en-1-amine
SMILESCC(C)(C)c1ccc(C2=CC(N)CC2)cc1
InChIInChI=1S/C15H21N/c1-15(2,3)13-7-4-11(5-8-13)12-6-9-14(16)10-12/h4-5,7-8,10,14H,6,9,16H2,1-3H3
InChIKeyXRXOSKHBXYMUKW-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.49
Rot. Bonds1

About 3-(4-tert-butylphenyl)cyclopent-2-en-1-amine

3-(4-tert-butylphenyl)cyclopent-2-en-1-amine (PubChem CID 65174409) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)cyclopent-2-en-1-amine
PubChem CID65174409
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-(4-tert-butylphenyl)cyclopent-2-en-1-amine
SMILESCC(C)(C)c1ccc(C2=CC(N)CC2)cc1
InChIInChI=1S/C15H21N/c1-15(2,3)13-7-4-11(5-8-13)12-6-9-14(16)10-12/h4-5,7-8,10,14H,6,9,16H2,1-3H3
InChIKeyXRXOSKHBXYMUKW-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine
CID 82298493
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3-[4-(2-fluorophenyl)phenyl]cyclopent-2-en-1-amine
CID 82298492
3-(2-methylquinolin-6-yl)cyclopent-2-en-1-amine
CID 81221550
3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine
CID 65171747
CID 142053160
CID 142053160
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 82592089
2-(4-tert-butylphenyl)cyclopropan-1-amine
CID 43810325
2-(4-tert-butylphenyl)cyclopentane-1,3-dione
CID 11085593
3-(2-ethylpyrazol-3-yl)cyclopent-2-en-1-amine
CID 65174112
4-(4-tert-butylphenyl)cyclohex-3-en-1-one
CID 83260999
4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
CID 166005450

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(4-tert-butylphenyl)cyclopent-2-en-1-amine (CID 65174409) is 3-(4-tert-butylphenyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)cyclopent-2-en-1-amine is CC(C)(C)c1ccc(C2=CC(N)CC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)cyclopent-2-en-1-amine?
The InChIKey is XRXOSKHBXYMUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-15(2,3)13-7-4-11(5-8-13)12-6-9-14(16)10-12/h4-5,7-8,10,14H,6,9,16H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)cyclopent-2-en-1-amine?
3-(4-tert-butylphenyl)cyclopent-2-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 65174409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).