4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol

C9H19NO — CID 127009354

IUPAC4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)(C)N(C)C
InChIInChI=1S/C9H19NO/c1-7(2)8(11)9(3,4)10(5)6/h8,11H,1H2,2-6H3
InChIKeyQITAQROKDJQQDS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.26
Rot. Bonds3

About 4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol

4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol (PubChem CID 127009354) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol
PubChem CID127009354
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)(C)N(C)C
InChIInChI=1S/C9H19NO/c1-7(2)8(11)9(3,4)10(5)6/h8,11H,1H2,2-6H3
InChIKeyQITAQROKDJQQDS-UHFFFAOYSA-N
XLogP1.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-2,4-dimethylpent-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 4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol?
The IUPAC name of 4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol (CID 127009354) is 4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for 4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol?
The canonical SMILES for 4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol is C=C(C)C(O)C(C)(C)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol?
The InChIKey is QITAQROKDJQQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)8(11)9(3,4)10(5)6/h8,11H,1H2,2-6H3.
What are the key properties of 4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol?
4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 127009354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).