N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine

C17H24N2 — CID 98784588

IUPACN-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
SMILESCCc1cccc2c(CCCNC3CC3)c(C)[nH]c12
InChIInChI=1S/C17H24N2/c1-3-13-6-4-7-16-15(12(2)19-17(13)16)8-5-11-18-14-9-10-14/h4,6-7,14,18-19H,3,5,8-11H2,1-2H3
InChIKeyDMGJGUFVFPMKFG-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.72
Rot. Bonds6

About N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine

N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine (PubChem CID 98784588) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
PubChem CID98784588
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
SMILESCCc1cccc2c(CCCNC3CC3)c(C)[nH]c12
InChIInChI=1S/C17H24N2/c1-3-13-6-4-7-16-15(12(2)19-17(13)16)8-5-11-18-14-9-10-14/h4,6-7,14,18-19H,3,5,8-11H2,1-2H3
InChIKeyDMGJGUFVFPMKFG-UHFFFAOYSA-N
XLogP3.72
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine 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

N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84635790
N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 96679083
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine
CID 81432277
cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine
CID 82279356
2-(7-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
CID 84622480
3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674967
3-ethyl-2-methyl-1H-indol-7-ol
CID 130049392
N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 16674168
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 96674667

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine (CID 98784588) is N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine is CCc1cccc2c(CCCNC3CC3)c(C)[nH]c12.
What is the InChIKey of N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine?
The InChIKey is DMGJGUFVFPMKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-13-6-4-7-16-15(12(2)19-17(13)16)8-5-11-18-14-9-10-14/h4,6-7,14,18-19H,3,5,8-11H2,1-2H3.
What are the key properties of N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine?
N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine has a molecular weight of 256.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 98784588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).