4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol

C16H31NO — CID 129247011

IUPAC4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESCC=C(C)C(O)(CCCN(CC)CC)C(C)=CC
InChIInChI=1S/C16H31NO/c1-7-14(5)16(18,15(6)8-2)12-11-13-17(9-3)10-4/h7-8,18H,9-13H2,1-6H3
InChIKeyFEDRLFFIKUZDEE-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.77
Rot. Bonds8

About 4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol

4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol (PubChem CID 129247011) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
PubChem CID129247011
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESCC=C(C)C(O)(CCCN(CC)CC)C(C)=CC
InChIInChI=1S/C16H31NO/c1-7-14(5)16(18,15(6)8-2)12-11-13-17(9-3)10-4/h7-8,18H,9-13H2,1-6H3
InChIKeyFEDRLFFIKUZDEE-UHFFFAOYSA-N
XLogP3.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.77
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-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The IUPAC name of 4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol (CID 129247011) is 4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol.
What is the SMILES notation for 4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The canonical SMILES for 4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol is CC=C(C)C(O)(CCCN(CC)CC)C(C)=CC.
What is the InChIKey of 4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The InChIKey is FEDRLFFIKUZDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-7-14(5)16(18,15(6)8-2)12-11-13-17(9-3)10-4/h7-8,18H,9-13H2,1-6H3.
What are the key properties of 4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol has a molecular weight of 253.43 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol is sourced from PubChem (CID 129247011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).