2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol

C14H25NO — CID 71052564

IUPAC2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol
SMILESCCC1=C(C(C=C(C)C)NC)CCC1(C)O
InChIInChI=1S/C14H25NO/c1-6-12-11(7-8-14(12,4)16)13(15-5)9-10(2)3/h9,13,15-16H,6-8H2,1-5H3
InChIKeySYNXEMOCESUOCZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.79
Rot. Bonds4

About 2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol

2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol (PubChem CID 71052564) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol
PubChem CID71052564
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol
SMILESCCC1=C(C(C=C(C)C)NC)CCC1(C)O
InChIInChI=1S/C14H25NO/c1-6-12-11(7-8-14(12,4)16)13(15-5)9-10(2)3/h9,13,15-16H,6-8H2,1-5H3
InChIKeySYNXEMOCESUOCZ-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
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 2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol?
The IUPAC name of 2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol (CID 71052564) is 2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol?
The canonical SMILES for 2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol is CCC1=C(C(C=C(C)C)NC)CCC1(C)O.
What is the InChIKey of 2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol?
The InChIKey is SYNXEMOCESUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-12-11(7-8-14(12,4)16)13(15-5)9-10(2)3/h9,13,15-16H,6-8H2,1-5H3.
What are the key properties of 2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol?
2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 71052564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).