N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine

C15H20N2 — CID 84625621

IUPACN-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine
SMILESCc1ccc2c(C)c(CNC3CC3)[nH]c2c1C
InChIInChI=1S/C15H20N2/c1-9-4-7-13-11(3)14(8-16-12-5-6-12)17-15(13)10(9)2/h4,7,12,16-17H,5-6,8H2,1-3H3
InChIKeyAAZQLTKOPWAXTF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.35
Rot. Bonds3

About N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine

N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine (PubChem CID 84625621) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine
PubChem CID84625621
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine
SMILESCc1ccc2c(C)c(CNC3CC3)[nH]c2c1C
InChIInChI=1S/C15H20N2/c1-9-4-7-13-11(3)14(8-16-12-5-6-12)17-15(13)10(9)2/h4,7,12,16-17H,5-6,8H2,1-3H3
InChIKeyAAZQLTKOPWAXTF-UHFFFAOYSA-N
XLogP3.35
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.35
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-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
CID 84622010
N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 96679083
3-bromo-2-cyclopropyl-6,7-dimethyl-1H-indole
CID 82379902
N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine
CID 97179137
N-[[6-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66451614
N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine
CID 84645201
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851238
N-[[4-methyl-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 105410060
N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
CID 113420784
3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one
CID 82519976
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498

Frequently Asked Questions

What is the IUPAC name of N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine (CID 84625621) is N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine is Cc1ccc2c(C)c(CNC3CC3)[nH]c2c1C.
What is the InChIKey of N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine?
The InChIKey is AAZQLTKOPWAXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-9-4-7-13-11(3)14(8-16-12-5-6-12)17-15(13)10(9)2/h4,7,12,16-17H,5-6,8H2,1-3H3.
What are the key properties of N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine?
N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine has a molecular weight of 228.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 84625621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).