2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine

C19H26N2 — CID 107235840

IUPAC2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
SMILESCc1c(CNCC(C2CC2)C2CC2)n(C)c2ccccc12
InChIInChI=1S/C19H26N2/c1-13-16-5-3-4-6-18(16)21(2)19(13)12-20-11-17(14-7-8-14)15-9-10-15/h3-6,14-15,17,20H,7-12H2,1-2H3
InChIKeyLCEULARIMLVIST-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.01
Rot. Bonds6

About 2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine

2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine (PubChem CID 107235840) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
PubChem CID107235840
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
SMILESCc1c(CNCC(C2CC2)C2CC2)n(C)c2ccccc12
InChIInChI=1S/C19H26N2/c1-13-16-5-3-4-6-18(16)21(2)19(13)12-20-11-17(14-7-8-14)15-9-10-15/h3-6,14-15,17,20H,7-12H2,1-2H3
InChIKeyLCEULARIMLVIST-UHFFFAOYSA-N
XLogP4.01
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine (CID 107235840) is 2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine is Cc1c(CNCC(C2CC2)C2CC2)n(C)c2ccccc12.
What is the InChIKey of 2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine?
The InChIKey is LCEULARIMLVIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13-16-5-3-4-6-18(16)21(2)19(13)12-20-11-17(14-7-8-14)15-9-10-15/h3-6,14-15,17,20H,7-12H2,1-2H3.
What are the key properties of 2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine?
2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine is sourced from PubChem (CID 107235840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).