3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine

C16H23N3 — CID 115214284

IUPAC3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine
SMILESCn1cc(CCNCC2CC(N)C2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-19-11-13(15-4-2-3-5-16(15)19)6-7-18-10-12-8-14(17)9-12/h2-5,11-12,14,18H,6-10,17H2,1H3
InChIKeyQLPNBYYCSLSKHT-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.05
Rot. Bonds5

About 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine

3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine (PubChem CID 115214284) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine
PubChem CID115214284
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine
SMILESCn1cc(CCNCC2CC(N)C2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-19-11-13(15-4-2-3-5-16(15)19)6-7-18-10-12-8-14(17)9-12/h2-5,11-12,14,18H,6-10,17H2,1H3
InChIKeyQLPNBYYCSLSKHT-UHFFFAOYSA-N
XLogP2.05
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine
CID 115214333
3-[2-(1-methylindol-3-yl)ethylamino]propan-1-ol
CID 115217042
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231
4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol
CID 115217783
2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
CID 115131227
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile
CID 115231099
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
CID 21128537
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine (CID 115214284) is 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine is Cn1cc(CCNCC2CC(N)C2)c2ccccc21.
What is the InChIKey of 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine?
The InChIKey is QLPNBYYCSLSKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19-11-13(15-4-2-3-5-16(15)19)6-7-18-10-12-8-14(17)9-12/h2-5,11-12,14,18H,6-10,17H2,1H3.
What are the key properties of 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine?
3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).