1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine

C12H23N5 — CID 107049497

IUPAC1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C12H23N5/c1-12(2)6-4-9(5-7-12)10(13)8-11-14-16-17(3)15-11/h9-10H,4-8,13H2,1-3H3
InChIKeyCRQVXAUBFLZGBB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.30
Rot. Bonds3

About 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine

1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107049497) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107049497
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C12H23N5/c1-12(2)6-4-9(5-7-12)10(13)8-11-14-16-17(3)15-11/h9-10H,4-8,13H2,1-3H3
InChIKeyCRQVXAUBFLZGBB-UHFFFAOYSA-N
XLogP1.30
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107049497) is 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine is Cn1nnc(CC(N)C2CCC(C)(C)CC2)n1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is CRQVXAUBFLZGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-12(2)6-4-9(5-7-12)10(13)8-11-14-16-17(3)15-11/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine?
1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107049497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).