3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine

C12H18N2 — CID 115105456

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc2c(c1)CCN2
InChIInChI=1S/C12H18N2/c1-13-7-2-3-10-4-5-12-11(9-10)6-8-14-12/h4-5,9,13-14H,2-3,6-8H2,1H3
InChIKeyGDNYYBVOCLJOEJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.81
Rot. Bonds4

About 3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine

3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine (PubChem CID 115105456) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
PubChem CID115105456
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc2c(c1)CCN2
InChIInChI=1S/C12H18N2/c1-13-7-2-3-10-4-5-12-11(9-10)6-8-14-12/h4-5,9,13-14H,2-3,6-8H2,1H3
InChIKeyGDNYYBVOCLJOEJ-UHFFFAOYSA-N
XLogP1.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol
CID 82256860
6-[3-(methylamino)propyl]-2,3-dihydroisoindol-1-one
CID 84721915
2-(2,3-dihydro-1H-indol-5-yl)-N,N-diethylethanamine
CID 82255784
3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
CID 115105435
4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid
CID 82256904
N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine
CID 107815618
5-benzyl-2,3-dihydro-1H-indole
CID 19042869
N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine
CID 82256820
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-ethylethanamine
CID 22898575
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole
CID 116998012
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
CID 10888757

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine (CID 115105456) is 3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine is CNCCCc1ccc2c(c1)CCN2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine?
The InChIKey is GDNYYBVOCLJOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-13-7-2-3-10-4-5-12-11(9-10)6-8-14-12/h4-5,9,13-14H,2-3,6-8H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine?
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 115105456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).