2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine

C15H20N2 — CID 65481750

IUPAC2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine
SMILESCc1cn(CC2(CCN)CC2)c2ccccc12
InChIInChI=1S/C15H20N2/c1-12-10-17(11-15(6-7-15)8-9-16)14-5-3-2-4-13(12)14/h2-5,10H,6-9,11,16H2,1H3
InChIKeyUULLMEOPYRGIBD-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.08
Rot. Bonds4

About 2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine

2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine (PubChem CID 65481750) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine
PubChem CID65481750
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine
SMILESCc1cn(CC2(CCN)CC2)c2ccccc12
InChIInChI=1S/C15H20N2/c1-12-10-17(11-15(6-7-15)8-9-16)14-5-3-2-4-13(12)14/h2-5,10H,6-9,11,16H2,1H3
InChIKeyUULLMEOPYRGIBD-UHFFFAOYSA-N
XLogP3.08
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine (CID 65481750) is 2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine is Cc1cn(CC2(CCN)CC2)c2ccccc12.
What is the InChIKey of 2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine?
The InChIKey is UULLMEOPYRGIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-10-17(11-15(6-7-15)8-9-16)14-5-3-2-4-13(12)14/h2-5,10H,6-9,11,16H2,1H3.
What are the key properties of 2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine?
2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine has a molecular weight of 228.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylindol-1-yl)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65481750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).