N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine

C15H20N2 — CID 82494841

IUPACN-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
SMILESCc1[nH]c2c(C)cccc2c1CCNC1CC1
InChIInChI=1S/C15H20N2/c1-10-4-3-5-14-13(11(2)17-15(10)14)8-9-16-12-6-7-12/h3-5,12,16-17H,6-9H2,1-2H3
InChIKeyHCYWJIFZGLUNBN-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.08
Rot. Bonds4

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

N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine (PubChem CID 82494841) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
PubChem CID82494841
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
SMILESCc1[nH]c2c(C)cccc2c1CCNC1CC1
InChIInChI=1S/C15H20N2/c1-10-4-3-5-14-13(11(2)17-15(10)14)8-9-16-12-6-7-12/h3-5,12,16-17H,6-9H2,1-2H3
InChIKeyHCYWJIFZGLUNBN-UHFFFAOYSA-N
XLogP3.08
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.08
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

N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 96679083
N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98784588
3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674967
3-(2-isocyanoethyl)-2,7-dimethyl-1H-indole
CID 83485119
N-[2-(5-tert-butyl-2-methyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 96679064
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557
2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole
CID 170864121
N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 84595460
2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 82501777
N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine
CID 81432277
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-4-phenoxybenzamide
CID 44624445
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 44624444

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine (CID 82494841) is N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine is Cc1[nH]c2c(C)cccc2c1CCNC1CC1.
What is the InChIKey of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine?
The InChIKey is HCYWJIFZGLUNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-4-3-5-14-13(11(2)17-15(10)14)8-9-16-12-6-7-12/h3-5,12,16-17H,6-9H2,1-2H3.
What are the key properties of N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine?
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine has a molecular weight of 228.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 82494841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).