5-(dimethylamino)hept-6-en-2-ol

C9H19NO — CID 138732053

IUPAC5-(dimethylamino)hept-6-en-2-ol
SMILESC=CC(CCC(C)O)N(C)C
InChIInChI=1S/C9H19NO/c1-5-9(10(3)4)7-6-8(2)11/h5,8-9,11H,1,6-7H2,2-4H3
InChIKeyZZYQRMKQUPELSK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.26
Rot. Bonds5

About 5-(dimethylamino)hept-6-en-2-ol

5-(dimethylamino)hept-6-en-2-ol (PubChem CID 138732053) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-(dimethylamino)hept-6-en-2-ol.

Molecular Properties

Compound Name5-(dimethylamino)hept-6-en-2-ol
PubChem CID138732053
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-(dimethylamino)hept-6-en-2-ol
SMILESC=CC(CCC(C)O)N(C)C
InChIInChI=1S/C9H19NO/c1-5-9(10(3)4)7-6-8(2)11/h5,8-9,11H,1,6-7H2,2-4H3
InChIKeyZZYQRMKQUPELSK-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
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 5-(dimethylamino)hept-6-en-2-ol?
The IUPAC name of 5-(dimethylamino)hept-6-en-2-ol (CID 138732053) is 5-(dimethylamino)hept-6-en-2-ol.
What is the SMILES notation for 5-(dimethylamino)hept-6-en-2-ol?
The canonical SMILES for 5-(dimethylamino)hept-6-en-2-ol is C=CC(CCC(C)O)N(C)C.
What is the InChIKey of 5-(dimethylamino)hept-6-en-2-ol?
The InChIKey is ZZYQRMKQUPELSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(10(3)4)7-6-8(2)11/h5,8-9,11H,1,6-7H2,2-4H3.
What are the key properties of 5-(dimethylamino)hept-6-en-2-ol?
5-(dimethylamino)hept-6-en-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)hept-6-en-2-ol is sourced from PubChem (CID 138732053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).