3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane

C16H24N2O — CID 142339069

IUPAC3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane
SMILESC=C(O)C(N)Cc1cn(C)c2c(C)cccc12.CC
InChIInChI=1S/C14H18N2O.C2H6/c1-9-5-4-6-12-11(7-13(15)10(2)17)8-16(3)14(9)12;1-2/h4-6,8,13,17H,2,7,15H2,1,3H3;1-2H3
InChIKeyFPTKLTAGBXQMPI-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.45
Rot. Bonds3

About 3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane

3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane (PubChem CID 142339069) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane.

Molecular Properties

Compound Name3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane
PubChem CID142339069
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane
SMILESC=C(O)C(N)Cc1cn(C)c2c(C)cccc12.CC
InChIInChI=1S/C14H18N2O.C2H6/c1-9-5-4-6-12-11(7-13(15)10(2)17)8-16(3)14(9)12;1-2/h4-6,8,13,17H,2,7,15H2,1,3H3;1-2H3
InChIKeyFPTKLTAGBXQMPI-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': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(7-ethenyl-1-methylindol-3-yl)propanoic acid;ethane
CID 145142529
3-amino-4-(5-chloro-1-methylindol-3-yl)but-1-en-2-ol;ethane
CID 153346453
2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane
CID 142339146
2-amino-3-(7-ethynyl-1-methylindol-3-yl)propanoic acid
CID 122499531
3-amino-4-(1,2-dimethylindol-3-yl)but-1-en-2-ol;ethane
CID 153346442
3-(1,7-dimethylindol-3-yl)butanoic acid
CID 82278698
1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole
CID 117186191
1-(7-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675918
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
3-(1,7-dimethylindol-3-yl)-4-methylpentanoic acid
CID 82278709
1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole
CID 117186248
2-amino-3-(7-chloro-1,5-dimethylindol-3-yl)propanoic acid
CID 71169916

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane?
The IUPAC name of 3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane (CID 142339069) is 3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane.
What is the SMILES notation for 3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane?
The canonical SMILES for 3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane is C=C(O)C(N)Cc1cn(C)c2c(C)cccc12.CC.
What is the InChIKey of 3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane?
The InChIKey is FPTKLTAGBXQMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2H6/c1-9-5-4-6-12-11(7-13(15)10(2)17)8-16(3)14(9)12;1-2/h4-6,8,13,17H,2,7,15H2,1,3H3;1-2H3.
What are the key properties of 3-amino-4-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane?
3-amino-4-(1,7-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-(1,7-dimethylindol-3-yl)but-1-en-2-ol;ethane is sourced from PubChem (CID 142339069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).