4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol

C14H27NO — CID 101070758

IUPAC4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CC(C)N(CC)CC
InChIInChI=1S/C14H27NO/c1-6-10-14(16,11-7-2)12-13(5)15(8-3)9-4/h6-7,13,16H,1-2,8-12H2,3-5H3
InChIKeyVFGFKKGASCQARZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds9

About 4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol

4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol (PubChem CID 101070758) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol
PubChem CID101070758
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CC(C)N(CC)CC
InChIInChI=1S/C14H27NO/c1-6-10-14(16,11-7-2)12-13(5)15(8-3)9-4/h6-7,13,16H,1-2,8-12H2,3-5H3
InChIKeyVFGFKKGASCQARZ-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.99
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-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol (CID 101070758) is 4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)CC(C)N(CC)CC.
What is the InChIKey of 4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol?
The InChIKey is VFGFKKGASCQARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-10-14(16,11-7-2)12-13(5)15(8-3)9-4/h6-7,13,16H,1-2,8-12H2,3-5H3.
What are the key properties of 4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol?
4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)propyl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 101070758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).