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

C14H27NO — CID 54533672

IUPAC4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESCC=C(C)C(O)(CCCN(C)C)C(C)=CC
InChIInChI=1S/C14H27NO/c1-7-12(3)14(16,13(4)8-2)10-9-11-15(5)6/h7-8,16H,9-11H2,1-6H3
InChIKeyYYHOREHTUIBPNM-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds6

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

4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol (PubChem CID 54533672) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
PubChem CID54533672
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESCC=C(C)C(O)(CCCN(C)C)C(C)=CC
InChIInChI=1S/C14H27NO/c1-7-12(3)14(16,13(4)8-2)10-9-11-15(5)6/h7-8,16H,9-11H2,1-6H3
InChIKeyYYHOREHTUIBPNM-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The IUPAC name of 4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol (CID 54533672) is 4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol is CC=C(C)C(O)(CCCN(C)C)C(C)=CC.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The InChIKey is YYHOREHTUIBPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-12(3)14(16,13(4)8-2)10-9-11-15(5)6/h7-8,16H,9-11H2,1-6H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol is sourced from PubChem (CID 54533672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).