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

C9H19NO — CID 79177547

IUPAC1-(ethylamino)-2,4-dimethylpent-3-en-2-ol
SMILESCCNCC(C)(O)C=C(C)C
InChIInChI=1S/C9H19NO/c1-5-10-7-9(4,11)6-8(2)3/h6,10-11H,5,7H2,1-4H3
InChIKeyKCBLXGNQDAHYGI-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds4

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

1-(ethylamino)-2,4-dimethylpent-3-en-2-ol (PubChem CID 79177547) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(ethylamino)-2,4-dimethylpent-3-en-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-2,4-dimethylpent-3-en-2-ol
PubChem CID79177547
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(ethylamino)-2,4-dimethylpent-3-en-2-ol
SMILESCCNCC(C)(O)C=C(C)C
InChIInChI=1S/C9H19NO/c1-5-10-7-9(4,11)6-8(2)3/h6,10-11H,5,7H2,1-4H3
InChIKeyKCBLXGNQDAHYGI-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(ethylamino)-2,4-dimethylpent-3-en-2-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 1-(ethylamino)-2,4-dimethylpent-3-en-2-ol?
The IUPAC name of 1-(ethylamino)-2,4-dimethylpent-3-en-2-ol (CID 79177547) is 1-(ethylamino)-2,4-dimethylpent-3-en-2-ol.
What is the SMILES notation for 1-(ethylamino)-2,4-dimethylpent-3-en-2-ol?
The canonical SMILES for 1-(ethylamino)-2,4-dimethylpent-3-en-2-ol is CCNCC(C)(O)C=C(C)C.
What is the InChIKey of 1-(ethylamino)-2,4-dimethylpent-3-en-2-ol?
The InChIKey is KCBLXGNQDAHYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-10-7-9(4,11)6-8(2)3/h6,10-11H,5,7H2,1-4H3.
What are the key properties of 1-(ethylamino)-2,4-dimethylpent-3-en-2-ol?
1-(ethylamino)-2,4-dimethylpent-3-en-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2,4-dimethylpent-3-en-2-ol is sourced from PubChem (CID 79177547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).