1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine

C18H26N2 — CID 115107196

IUPAC1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cn(CC2CCCC2)c2ccccc12
InChIInChI=1S/C18H26N2/c1-14(19-2)11-16-13-20(12-15-7-3-4-8-15)18-10-6-5-9-17(16)18/h5-6,9-10,13-15,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyJLNFLOYHKVWOQG-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.98
Rot. Bonds5

About 1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine

1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine (PubChem CID 115107196) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine
PubChem CID115107196
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cn(CC2CCCC2)c2ccccc12
InChIInChI=1S/C18H26N2/c1-14(19-2)11-16-13-20(12-15-7-3-4-8-15)18-10-6-5-9-17(16)18/h5-6,9-10,13-15,19H,3-4,7-8,11-12H2,1-2H3
InChIKeyJLNFLOYHKVWOQG-UHFFFAOYSA-N
XLogP3.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 162459944
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 142579605
2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol
CID 117118920
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
CID 115106892
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61203945
2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide
CID 67239924
1-[1-(cyclopropylmethyl)indol-2-yl]-N-methylpropan-2-amine
CID 115107082

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine (CID 115107196) is 1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1cn(CC2CCCC2)c2ccccc12.
What is the InChIKey of 1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine?
The InChIKey is JLNFLOYHKVWOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-14(19-2)11-16-13-20(12-15-7-3-4-8-15)18-10-6-5-9-17(16)18/h5-6,9-10,13-15,19H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine?
1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine has a molecular weight of 270.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 115107196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).