1-(dimethylamino)hex-5-en-2-ol

C8H17NO — CID 79087203

IUPAC1-(dimethylamino)hex-5-en-2-ol
SMILESC=CCCC(O)CN(C)C
InChIInChI=1S/C8H17NO/c1-4-5-6-8(10)7-9(2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyKIKWYGACFFURIN-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds5

About 1-(dimethylamino)hex-5-en-2-ol

1-(dimethylamino)hex-5-en-2-ol (PubChem CID 79087203) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(dimethylamino)hex-5-en-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)hex-5-en-2-ol
PubChem CID79087203
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(dimethylamino)hex-5-en-2-ol
SMILESC=CCCC(O)CN(C)C
InChIInChI=1S/C8H17NO/c1-4-5-6-8(10)7-9(2)3/h4,8,10H,1,5-7H2,2-3H3
InChIKeyKIKWYGACFFURIN-UHFFFAOYSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
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 1-(dimethylamino)hex-5-en-2-ol?
The IUPAC name of 1-(dimethylamino)hex-5-en-2-ol (CID 79087203) is 1-(dimethylamino)hex-5-en-2-ol.
What is the SMILES notation for 1-(dimethylamino)hex-5-en-2-ol?
The canonical SMILES for 1-(dimethylamino)hex-5-en-2-ol is C=CCCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)hex-5-en-2-ol?
The InChIKey is KIKWYGACFFURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-5-6-8(10)7-9(2)3/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of 1-(dimethylamino)hex-5-en-2-ol?
1-(dimethylamino)hex-5-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)hex-5-en-2-ol is sourced from PubChem (CID 79087203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).