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

C11H18N4 — CID 114690500

IUPAC5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine
SMILESCn1nncc1C1=CC(N)CC(C)(C)C1
InChIInChI=1S/C11H18N4/c1-11(2)5-8(4-9(12)6-11)10-7-13-14-15(10)3/h4,7,9H,5-6,12H2,1-3H3
InChIKeyNMSLATXWRNFFJP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.35
Rot. Bonds1

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

5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine (PubChem CID 114690500) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine
PubChem CID114690500
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine
SMILESCn1nncc1C1=CC(N)CC(C)(C)C1
InChIInChI=1S/C11H18N4/c1-11(2)5-8(4-9(12)6-11)10-7-13-14-15(10)3/h4,7,9H,5-6,12H2,1-3H3
InChIKeyNMSLATXWRNFFJP-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.35
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-methyltriazol-4-yl)cyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine (CID 114690500) is 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine is Cn1nncc1C1=CC(N)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine?
The InChIKey is NMSLATXWRNFFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-11(2)5-8(4-9(12)6-11)10-7-13-14-15(10)3/h4,7,9H,5-6,12H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine?
5,5-dimethyl-3-(3-methyltriazol-4-yl)cyclohex-2-en-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.35, 1 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-methyltriazol-4-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 114690500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).