3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane

C16H24N2O — CID 153346442

IUPAC3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane
SMILESC=C(O)C(N)Cc1c(C)n(C)c2ccccc12.CC
InChIInChI=1S/C14H18N2O.C2H6/c1-9-12(8-13(15)10(2)17)11-6-4-5-7-14(11)16(9)3;1-2/h4-7,13,17H,2,8,15H2,1,3H3;1-2H3
InChIKeyAMCJXZDYWLYMCO-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.45
Rot. Bonds3

About 3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane

3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane (PubChem CID 153346442) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane.

Molecular Properties

Compound Name3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane
PubChem CID153346442
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane
SMILESC=C(O)C(N)Cc1c(C)n(C)c2ccccc12.CC
InChIInChI=1S/C14H18N2O.C2H6/c1-9-12(8-13(15)10(2)17)11-6-4-5-7-14(11)16(9)3;1-2/h4-7,13,17H,2,8,15H2,1,3H3;1-2H3
InChIKeyAMCJXZDYWLYMCO-UHFFFAOYSA-N
XLogP3.45
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane?
The IUPAC name of 3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane (CID 153346442) is 3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane.
What is the SMILES notation for 3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane?
The canonical SMILES for 3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane is C=C(O)C(N)Cc1c(C)n(C)c2ccccc12.CC.
What is the InChIKey of 3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane?
The InChIKey is AMCJXZDYWLYMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2H6/c1-9-12(8-13(15)10(2)17)11-6-4-5-7-14(11)16(9)3;1-2/h4-7,13,17H,2,8,15H2,1,3H3;1-2H3.
What are the key properties of 3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane?
3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane has a molecular weight of 260.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane is sourced from PubChem (CID 153346442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).