4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol

C10H19NO — CID 87299853

IUPAC4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CN(C)C
InChIInChI=1S/C10H19NO/c1-5-7-10(12,8-6-2)9-11(3)4/h5-6,12H,1-2,7-9H2,3-4H3
InChIKeyRHQTZAURBVZGAS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.43
Rot. Bonds6

About 4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol

4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol (PubChem CID 87299853) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol
PubChem CID87299853
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CN(C)C
InChIInChI=1S/C10H19NO/c1-5-7-10(12,8-6-2)9-11(3)4/h5-6,12H,1-2,7-9H2,3-4H3
InChIKeyRHQTZAURBVZGAS-UHFFFAOYSA-N
XLogP1.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.43
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 4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol (CID 87299853) is 4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)CN(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol?
The InChIKey is RHQTZAURBVZGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7-10(12,8-6-2)9-11(3)4/h5-6,12H,1-2,7-9H2,3-4H3.
What are the key properties of 4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol?
4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 87299853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).