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

C17H25N3 — CID 81395194

IUPAC(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine
SMILESCCn1nc(CN[C@@H](C)C2CCCC2)c2ccccc21
InChIInChI=1S/C17H25N3/c1-3-20-17-11-7-6-10-15(17)16(19-20)12-18-13(2)14-8-4-5-9-14/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeySCMPMOQHNHCGCM-ZDUSSCGKSA-N
MW271.41 g/mol
LogP3.72
Rot. Bonds5

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

(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine (PubChem CID 81395194) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine
PubChem CID81395194
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine
SMILESCCn1nc(CN[C@@H](C)C2CCCC2)c2ccccc21
InChIInChI=1S/C17H25N3/c1-3-20-17-11-7-6-10-15(17)16(19-20)12-18-13(2)14-8-4-5-9-14/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeySCMPMOQHNHCGCM-ZDUSSCGKSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1-ethylindazol-3-yl)methyl]pentan-2-amine
CID 113376674
N-[[1-[(5-methyloxolan-2-yl)methyl]indazol-3-yl]methyl]propan-2-amine
CID 103140593
1-(cyclopentylamino)-3-(1-ethylindazol-3-yl)propan-2-one
CID 116559188
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
(1S)-1-cyclopentyl-N-[(1,3-dimethylindol-2-yl)methyl]ethanamine
CID 107235986
(1S)-1-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235981
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
CID 115813749
(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104587715
N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72875798
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662
N-[(1-ethylindazol-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 104879613
N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine
CID 106458301

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine (CID 81395194) is (1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine is CCn1nc(CN[C@@H](C)C2CCCC2)c2ccccc21.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine?
The InChIKey is SCMPMOQHNHCGCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-20-17-11-7-6-10-15(17)16(19-20)12-18-13(2)14-8-4-5-9-14/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 81395194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).