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

C18H26N2 — CID 107235986

IUPAC(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
SMILESCc1c(CN[C@@H](C)C2CCCC2)n(C)c2ccccc12
InChIInChI=1S/C18H26N2/c1-13-16-10-6-7-11-17(16)20(3)18(13)12-19-14(2)15-8-4-5-9-15/h6-7,10-11,14-15,19H,4-5,8-9,12H2,1-3H3/t14-/m0/s1
InChIKeyPXZZEIGICFHATI-AWEZNQCLSA-N
MW270.42 g/mol
LogP4.16
Rot. Bonds4

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

(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine (PubChem CID 107235986) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
PubChem CID107235986
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
SMILESCc1c(CN[C@@H](C)C2CCCC2)n(C)c2ccccc12
InChIInChI=1S/C18H26N2/c1-13-16-10-6-7-11-17(16)20(3)18(13)12-19-14(2)15-8-4-5-9-15/h6-7,10-11,14-15,19H,4-5,8-9,12H2,1-3H3/t14-/m0/s1
InChIKeyPXZZEIGICFHATI-AWEZNQCLSA-N
XLogP4.16
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.16
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 (1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine (CID 107235986) is (1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine is Cc1c(CN[C@@H](C)C2CCCC2)n(C)c2ccccc12.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine?
The InChIKey is PXZZEIGICFHATI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2/c1-13-16-10-6-7-11-17(16)20(3)18(13)12-19-14(2)15-8-4-5-9-15/h6-7,10-11,14-15,19H,4-5,8-9,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine has a molecular weight of 270.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine is sourced from PubChem (CID 107235986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).