1-(2-methylindolizin-3-yl)cyclopropan-1-amine

C12H14N2 — CID 116993699

IUPAC1-(2-methylindolizin-3-yl)cyclopropan-1-amine
SMILESCc1cc2ccccn2c1C1(N)CC1
InChIInChI=1S/C12H14N2/c1-9-8-10-4-2-3-7-14(10)11(9)12(13)5-6-12/h2-4,7-8H,5-6,13H2,1H3
InChIKeyXKVYNCAVMUYJIQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.20
Rot. Bonds1

About 1-(2-methylindolizin-3-yl)cyclopropan-1-amine

1-(2-methylindolizin-3-yl)cyclopropan-1-amine (PubChem CID 116993699) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(2-methylindolizin-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-methylindolizin-3-yl)cyclopropan-1-amine
PubChem CID116993699
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-(2-methylindolizin-3-yl)cyclopropan-1-amine
SMILESCc1cc2ccccn2c1C1(N)CC1
InChIInChI=1S/C12H14N2/c1-9-8-10-4-2-3-7-14(10)11(9)12(13)5-6-12/h2-4,7-8H,5-6,13H2,1H3
InChIKeyXKVYNCAVMUYJIQ-UHFFFAOYSA-N
XLogP2.20
TPSA30.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylindolizin-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2-methylindolizin-3-yl)cyclopropan-1-amine (CID 116993699) is 1-(2-methylindolizin-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-methylindolizin-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-methylindolizin-3-yl)cyclopropan-1-amine is Cc1cc2ccccn2c1C1(N)CC1.
What is the InChIKey of 1-(2-methylindolizin-3-yl)cyclopropan-1-amine?
The InChIKey is XKVYNCAVMUYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-8-10-4-2-3-7-14(10)11(9)12(13)5-6-12/h2-4,7-8H,5-6,13H2,1H3.
What are the key properties of 1-(2-methylindolizin-3-yl)cyclopropan-1-amine?
1-(2-methylindolizin-3-yl)cyclopropan-1-amine has a molecular weight of 186.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylindolizin-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 116993699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).