1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine

C13H16N2 — CID 96620091

IUPAC1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine
SMILESCc1[nH]c2cccc(C)c2c1C1(N)CC1
InChIInChI=1S/C13H16N2/c1-8-4-3-5-10-11(8)12(9(2)15-10)13(14)6-7-13/h3-5,15H,6-7,14H2,1-2H3
InChIKeyKNVAVDVGDAHXCX-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.73
Rot. Bonds1

About 1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine

1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine (PubChem CID 96620091) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine
PubChem CID96620091
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine
SMILESCc1[nH]c2cccc(C)c2c1C1(N)CC1
InChIInChI=1S/C13H16N2/c1-8-4-3-5-10-11(8)12(9(2)15-10)13(14)6-7-13/h3-5,15H,6-7,14H2,1-2H3
InChIKeyKNVAVDVGDAHXCX-UHFFFAOYSA-N
XLogP2.73
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine (CID 96620091) is 1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine is Cc1[nH]c2cccc(C)c2c1C1(N)CC1.
What is the InChIKey of 1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine?
The InChIKey is KNVAVDVGDAHXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-8-4-3-5-10-11(8)12(9(2)15-10)13(14)6-7-13/h3-5,15H,6-7,14H2,1-2H3.
What are the key properties of 1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine?
1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine has a molecular weight of 200.28 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1H-indol-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 96620091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).