6-(dimethylamino)-2-methylhex-1-en-3-ol

C9H19NO — CID 155111222

IUPAC6-(dimethylamino)-2-methylhex-1-en-3-ol
SMILESC=C(C)C(O)CCCN(C)C
InChIInChI=1S/C9H19NO/c1-8(2)9(11)6-5-7-10(3)4/h9,11H,1,5-7H2,2-4H3
InChIKeyBCQUBNVCBHPSEP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds5

About 6-(dimethylamino)-2-methylhex-1-en-3-ol

6-(dimethylamino)-2-methylhex-1-en-3-ol (PubChem CID 155111222) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methylhex-1-en-3-ol.

Molecular Properties

Compound Name6-(dimethylamino)-2-methylhex-1-en-3-ol
PubChem CID155111222
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name6-(dimethylamino)-2-methylhex-1-en-3-ol
SMILESC=C(C)C(O)CCCN(C)C
InChIInChI=1S/C9H19NO/c1-8(2)9(11)6-5-7-10(3)4/h9,11H,1,5-7H2,2-4H3
InChIKeyBCQUBNVCBHPSEP-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(dimethylamino)-2-methylhex-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methylhex-1-en-3-ol?
The IUPAC name of 6-(dimethylamino)-2-methylhex-1-en-3-ol (CID 155111222) is 6-(dimethylamino)-2-methylhex-1-en-3-ol.
What is the SMILES notation for 6-(dimethylamino)-2-methylhex-1-en-3-ol?
The canonical SMILES for 6-(dimethylamino)-2-methylhex-1-en-3-ol is C=C(C)C(O)CCCN(C)C.
What is the InChIKey of 6-(dimethylamino)-2-methylhex-1-en-3-ol?
The InChIKey is BCQUBNVCBHPSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)9(11)6-5-7-10(3)4/h9,11H,1,5-7H2,2-4H3.
What are the key properties of 6-(dimethylamino)-2-methylhex-1-en-3-ol?
6-(dimethylamino)-2-methylhex-1-en-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methylhex-1-en-3-ol is sourced from PubChem (CID 155111222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).