3-(1-methylindol-3-yl)propan-1-amine

C12H16N2 — CID 3930315

IUPAC3-(1-methylindol-3-yl)propan-1-amine
SMILESCn1cc(CCCN)c2ccccc21
InChIInChI=1S/C12H16N2/c1-14-9-10(5-4-8-13)11-6-2-3-7-12(11)14/h2-3,6-7,9H,4-5,8,13H2,1H3
InChIKeyIEYWSXZHBDCUQH-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.07
Rot. Bonds3

About 3-(1-methylindol-3-yl)propan-1-amine

3-(1-methylindol-3-yl)propan-1-amine (PubChem CID 3930315) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)propan-1-amine
PubChem CID3930315
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-(1-methylindol-3-yl)propan-1-amine
SMILESCn1cc(CCCN)c2ccccc21
InChIInChI=1S/C12H16N2/c1-14-9-10(5-4-8-13)11-6-2-3-7-12(11)14/h2-3,6-7,9H,4-5,8,13H2,1H3
InChIKeyIEYWSXZHBDCUQH-UHFFFAOYSA-N
XLogP2.07
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-decyl-1-methylindole
CID 10802084
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CID 13153306
3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine
CID 65177726
3-[1-(2-methylprop-2-enyl)indol-3-yl]propan-1-amine
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2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
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4-(1-methylindol-3-yl)butyl methanesulfonate
CID 10107768
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117197311
3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine
CID 96675442
1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 141396393
2-(1-methylindol-3-yl)ethanesulfonyl chloride
CID 82483252
1-methyl-3-[2-[1-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]ethyl]indole
CID 3849206

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 3-(1-methylindol-3-yl)propan-1-amine (CID 3930315) is 3-(1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-methylindol-3-yl)propan-1-amine is Cn1cc(CCCN)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)propan-1-amine?
The InChIKey is IEYWSXZHBDCUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-14-9-10(5-4-8-13)11-6-2-3-7-12(11)14/h2-3,6-7,9H,4-5,8,13H2,1H3.
What are the key properties of 3-(1-methylindol-3-yl)propan-1-amine?
3-(1-methylindol-3-yl)propan-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 3930315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).