N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine

C18H27N3 — CID 81026806

IUPACN-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1nn(CC)c2ccccc12
InChIInChI=1S/C18H27N3/c1-3-19-13-15-9-7-8-14(15)12-17-16-10-5-6-11-18(16)21(4-2)20-17/h5-6,10-11,14-15,19H,3-4,7-9,12-13H2,1-2H3
InChIKeyWPMYQLOHUDADOJ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.62
Rot. Bonds6

About N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine

N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine (PubChem CID 81026806) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine
PubChem CID81026806
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1Cc1nn(CC)c2ccccc12
InChIInChI=1S/C18H27N3/c1-3-19-13-15-9-7-8-14(15)12-17-16-10-5-6-11-18(16)21(4-2)20-17/h5-6,10-11,14-15,19H,3-4,7-9,12-13H2,1-2H3
InChIKeyWPMYQLOHUDADOJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine (CID 81026806) is N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine is CCNCC1CCCC1Cc1nn(CC)c2ccccc12.
What is the InChIKey of N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine?
The InChIKey is WPMYQLOHUDADOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-19-13-15-9-7-8-14(15)12-17-16-10-5-6-11-18(16)21(4-2)20-17/h5-6,10-11,14-15,19H,3-4,7-9,12-13H2,1-2H3.
What are the key properties of N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine?
N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 81026806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).