5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine

C16H20N4 — CID 114690501

IUPAC5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine
SMILESCC1(C)CC(c2cnnn2-c2ccccc2)=CC(N)C1
InChIInChI=1S/C16H20N4/c1-16(2)9-12(8-13(17)10-16)15-11-18-19-20(15)14-6-4-3-5-7-14/h3-8,11,13H,9-10,17H2,1-2H3
InChIKeyGNLAPCVRWDSNLV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.80
Rot. Bonds2

About 5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine

5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine (PubChem CID 114690501) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine
PubChem CID114690501
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine
SMILESCC1(C)CC(c2cnnn2-c2ccccc2)=CC(N)C1
InChIInChI=1S/C16H20N4/c1-16(2)9-12(8-13(17)10-16)15-11-18-19-20(15)14-6-4-3-5-7-14/h3-8,11,13H,9-10,17H2,1-2H3
InChIKeyGNLAPCVRWDSNLV-UHFFFAOYSA-N
XLogP2.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine (CID 114690501) is 5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine is CC1(C)CC(c2cnnn2-c2ccccc2)=CC(N)C1.
What is the InChIKey of 5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine?
The InChIKey is GNLAPCVRWDSNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-16(2)9-12(8-13(17)10-16)15-11-18-19-20(15)14-6-4-3-5-7-14/h3-8,11,13H,9-10,17H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine?
5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine has a molecular weight of 268.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(3-phenyltriazol-4-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 114690501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).