(2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol

C13H25NO — CID 19608990

IUPAC(2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(/C(C)=C/C)C(C)N(C)C
InChIInChI=1S/C13H25NO/c1-8-10(3)13(15,11(4)9-2)12(5)14(6)7/h8-9,12,15H,1-7H3/b10-8+,11-9+
InChIKeyCNGCLFVAGMTYMP-GFULKKFKSA-N
MW211.35 g/mol
LogP2.60
Rot. Bonds4

About (2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol

(2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol (PubChem CID 19608990) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol.

Molecular Properties

Compound Name(2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol
PubChem CID19608990
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(/C(C)=C/C)C(C)N(C)C
InChIInChI=1S/C13H25NO/c1-8-10(3)13(15,11(4)9-2)12(5)14(6)7/h8-9,12,15H,1-7H3/b10-8+,11-9+
InChIKeyCNGCLFVAGMTYMP-GFULKKFKSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.60
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 (2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The IUPAC name of (2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol (CID 19608990) is (2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol.
What is the SMILES notation for (2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The canonical SMILES for (2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol is C/C=C(\C)C(O)(/C(C)=C/C)C(C)N(C)C.
What is the InChIKey of (2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The InChIKey is CNGCLFVAGMTYMP-GFULKKFKSA-N. The full InChI is InChI=1S/C13H25NO/c1-8-10(3)13(15,11(4)9-2)12(5)14(6)7/h8-9,12,15H,1-7H3/b10-8+,11-9+.
What are the key properties of (2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol?
(2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-4-[1-(dimethylamino)ethyl]-3,5-dimethylhepta-2,5-dien-4-ol is sourced from PubChem (CID 19608990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).