cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine

C17H24N2 — CID 82279356

IUPACcyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine
SMILESCCc1cccc2c(C(N)C3CCCC3)c(C)[nH]c12
InChIInChI=1S/C17H24N2/c1-3-12-9-6-10-14-15(11(2)19-17(12)14)16(18)13-7-4-5-8-13/h6,9-10,13,16,19H,3-5,7-8,18H2,1-2H3
InChIKeyJWOMWULOVDDHGC-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.23
Rot. Bonds3

About cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine

cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine (PubChem CID 82279356) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Namecyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine
PubChem CID82279356
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Namecyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine
SMILESCCc1cccc2c(C(N)C3CCCC3)c(C)[nH]c12
InChIInChI=1S/C17H24N2/c1-3-12-9-6-10-14-15(11(2)19-17(12)14)16(18)13-7-4-5-8-13/h6,9-10,13,16,19H,3-5,7-8,18H2,1-2H3
InChIKeyJWOMWULOVDDHGC-UHFFFAOYSA-N
XLogP4.23
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82279330
cyclohexyl-(7-ethyl-1H-indol-3-yl)methanamine
CID 82277764
(5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine
CID 82279351
cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 82279350
2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde
CID 3764850
N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98784588
2-(7-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
CID 84622480
2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84635790
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319
(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
(5-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)methanamine
CID 83835518
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine?
The IUPAC name of cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine (CID 82279356) is cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine?
The canonical SMILES for cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine is CCc1cccc2c(C(N)C3CCCC3)c(C)[nH]c12.
What is the InChIKey of cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine?
The InChIKey is JWOMWULOVDDHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-12-9-6-10-14-15(11(2)19-17(12)14)16(18)13-7-4-5-8-13/h6,9-10,13,16,19H,3-5,7-8,18H2,1-2H3.
What are the key properties of cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine?
cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine has a molecular weight of 256.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 82279356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).