5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine

C11H19N5 — CID 107054967

IUPAC5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
SMILESCn1nnc(CC2=CC(N)CC(C)(C)C2)n1
InChIInChI=1S/C11H19N5/c1-11(2)6-8(4-9(12)7-11)5-10-13-15-16(3)14-10/h4,9H,5-7,12H2,1-3H3
InChIKeyGMJSSWRMKSNTMG-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.83
Rot. Bonds2

About 5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine

5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine (PubChem CID 107054967) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
PubChem CID107054967
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine
SMILESCn1nnc(CC2=CC(N)CC(C)(C)C2)n1
InChIInChI=1S/C11H19N5/c1-11(2)6-8(4-9(12)7-11)5-10-13-15-16(3)14-10/h4,9H,5-7,12H2,1-3H3
InChIKeyGMJSSWRMKSNTMG-UHFFFAOYSA-N
XLogP0.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine (CID 107054967) is 5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine is Cn1nnc(CC2=CC(N)CC(C)(C)C2)n1.
What is the InChIKey of 5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine?
The InChIKey is GMJSSWRMKSNTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-11(2)6-8(4-9(12)7-11)5-10-13-15-16(3)14-10/h4,9H,5-7,12H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine?
5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine has a molecular weight of 221.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 107054967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).