3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine

C11H17BrN4 — CID 106463543

IUPAC3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCn1nnc(Br)c1C1=CC(N)CC(C)(C)C1
InChIInChI=1S/C11H17BrN4/c1-11(2)5-7(4-8(13)6-11)9-10(12)14-15-16(9)3/h4,8H,5-6,13H2,1-3H3
InChIKeyCPDCHVCBMIRQGF-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.11
Rot. Bonds1

About 3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine

3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 106463543) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID106463543
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCn1nnc(Br)c1C1=CC(N)CC(C)(C)C1
InChIInChI=1S/C11H17BrN4/c1-11(2)5-7(4-8(13)6-11)9-10(12)14-15-16(9)3/h4,8H,5-6,13H2,1-3H3
InChIKeyCPDCHVCBMIRQGF-UHFFFAOYSA-N
XLogP2.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Bromo-3-methyltriazol-4-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 69584038
1-(5-Bromo-3-methyltriazol-4-yl)-2-(cyclohexen-1-yl)ethanamine
CID 106462955
4-(5-Bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 106463420
3-(5-Bromo-3-methyltriazol-4-yl)cyclohex-2-en-1-amine
CID 106463542
3-(5-Bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine
CID 106463544
4-Bromo-5-(3-chloro-5,5-dimethylcyclohexen-1-yl)-1-methyltriazole
CID 106463602
3-(5-Bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine
CID 107383026
5,5-Dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine
CID 114690500

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine (CID 106463543) is 3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine is Cn1nnc(Br)c1C1=CC(N)CC(C)(C)C1.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is CPDCHVCBMIRQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-11(2)5-7(4-8(13)6-11)9-10(12)14-15-16(9)3/h4,8H,5-6,13H2,1-3H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine?
3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 285.19 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyltriazol-4-yl)-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 106463543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).