1-(3,3-dimethylcyclohexyl)ethenamine;ethane

C12H25N — CID 163246880

IUPAC1-(3,3-dimethylcyclohexyl)ethenamine;ethane
SMILESC=C(N)C1CCCC(C)(C)C1.CC
InChIInChI=1S/C10H19N.C2H6/c1-8(11)9-5-4-6-10(2,3)7-9;1-2/h9H,1,4-7,11H2,2-3H3;1-2H3
InChIKeyIRYDJAMSQXPQCT-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.70
Rot. Bonds1

About 1-(3,3-dimethylcyclohexyl)ethenamine;ethane

1-(3,3-dimethylcyclohexyl)ethenamine;ethane (PubChem CID 163246880) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)ethenamine;ethane.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)ethenamine;ethane
PubChem CID163246880
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-(3,3-dimethylcyclohexyl)ethenamine;ethane
SMILESC=C(N)C1CCCC(C)(C)C1.CC
InChIInChI=1S/C10H19N.C2H6/c1-8(11)9-5-4-6-10(2,3)7-9;1-2/h9H,1,4-7,11H2,2-3H3;1-2H3
InChIKeyIRYDJAMSQXPQCT-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)ethenamine;ethane?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)ethenamine;ethane (CID 163246880) is 1-(3,3-dimethylcyclohexyl)ethenamine;ethane.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)ethenamine;ethane?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)ethenamine;ethane is C=C(N)C1CCCC(C)(C)C1.CC.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)ethenamine;ethane?
The InChIKey is IRYDJAMSQXPQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C2H6/c1-8(11)9-5-4-6-10(2,3)7-9;1-2/h9H,1,4-7,11H2,2-3H3;1-2H3.
What are the key properties of 1-(3,3-dimethylcyclohexyl)ethenamine;ethane?
1-(3,3-dimethylcyclohexyl)ethenamine;ethane has a molecular weight of 183.34 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexyl)ethenamine;ethane is sourced from PubChem (CID 163246880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).