3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete

C12H21N — CID 143711059

IUPAC3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete
SMILESCC1(C)NC=C1CC1CCCCC1
InChIInChI=1S/C12H21N/c1-12(2)11(9-13-12)8-10-6-4-3-5-7-10/h9-10,13H,3-8H2,1-2H3
InChIKeyHIBGLTJABXRJLL-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.22
Rot. Bonds2

About 3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete

3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete (PubChem CID 143711059) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete
PubChem CID143711059
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete
SMILESCC1(C)NC=C1CC1CCCCC1
InChIInChI=1S/C12H21N/c1-12(2)11(9-13-12)8-10-6-4-3-5-7-10/h9-10,13H,3-8H2,1-2H3
InChIKeyHIBGLTJABXRJLL-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete?
The IUPAC name of 3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete (CID 143711059) is 3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete.
What is the SMILES notation for 3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete?
The canonical SMILES for 3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete is CC1(C)NC=C1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete?
The InChIKey is HIBGLTJABXRJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2)11(9-13-12)8-10-6-4-3-5-7-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete?
3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete has a molecular weight of 179.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2,2-dimethyl-1H-azete is sourced from PubChem (CID 143711059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).