N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine

C13H20N2 — CID 115106432

IUPACN-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine
SMILESCNCCCC1CN(C)c2ccccc21
InChIInChI=1S/C13H20N2/c1-14-9-5-6-11-10-15(2)13-8-4-3-7-12(11)13/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3
InChIKeyZQQBBUVTZPBAGT-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.22
Rot. Bonds4

About N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine

N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine (PubChem CID 115106432) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine
PubChem CID115106432
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine
SMILESCNCCCC1CN(C)c2ccccc21
InChIInChI=1S/C13H20N2/c1-14-9-5-6-11-10-15(2)13-8-4-3-7-12(11)13/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3
InChIKeyZQQBBUVTZPBAGT-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 58386589
2-(1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 115106407
2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202142
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
N-methyl-2-[1-(2-methylpropyl)-2,3-dihydroindol-3-yl]ethanamine
CID 115106414
(3R)-1-methyl-2,3-dihydroindol-3-amine
CID 175654020
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
3-(4-bromo-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117200144
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
1-methyl-2,3-dihydroindole-3-thiol
CID 123600877
3-(1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106431

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine (CID 115106432) is N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine is CNCCCC1CN(C)c2ccccc21.
What is the InChIKey of N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine?
The InChIKey is ZQQBBUVTZPBAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-9-5-6-11-10-15(2)13-8-4-3-7-12(11)13/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3.
What are the key properties of N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine?
N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine is sourced from PubChem (CID 115106432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).