2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol

C11H23NO — CID 79047892

IUPAC2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol
SMILESC=C(CC)CC(O)C(C)(C)N(C)C
InChIInChI=1S/C11H23NO/c1-7-9(2)8-10(13)11(3,4)12(5)6/h10,13H,2,7-8H2,1,3-6H3
InChIKeyCDOJINMYJJSOEB-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.04
Rot. Bonds5

About 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol

2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol (PubChem CID 79047892) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol
PubChem CID79047892
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol
SMILESC=C(CC)CC(O)C(C)(C)N(C)C
InChIInChI=1S/C11H23NO/c1-7-9(2)8-10(13)11(3,4)12(5)6/h10,13H,2,7-8H2,1,3-6H3
InChIKeyCDOJINMYJJSOEB-UHFFFAOYSA-N
XLogP2.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol?
The IUPAC name of 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol (CID 79047892) is 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol?
The canonical SMILES for 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol is C=C(CC)CC(O)C(C)(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol?
The InChIKey is CDOJINMYJJSOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7-9(2)8-10(13)11(3,4)12(5)6/h10,13H,2,7-8H2,1,3-6H3.
What are the key properties of 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol?
2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol has a molecular weight of 185.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-5-methylideneheptan-3-ol is sourced from PubChem (CID 79047892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).