N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine

C13H20N2 — CID 83960289

IUPACN-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine
SMILESCCCC1CNc2ccc(CNC)cc21
InChIInChI=1S/C13H20N2/c1-3-4-11-9-15-13-6-5-10(8-14-2)7-12(11)13/h5-7,11,14-15H,3-4,8-9H2,1-2H3
InChIKeyYJNKLJXMZKZHJU-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.72
Rot. Bonds4

About N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine

N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine (PubChem CID 83960289) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine
PubChem CID83960289
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine
SMILESCCCC1CNc2ccc(CNC)cc21
InChIInChI=1S/C13H20N2/c1-3-4-11-9-15-13-6-5-10(8-14-2)7-12(11)13/h5-7,11,14-15H,3-4,8-9H2,1-2H3
InChIKeyYJNKLJXMZKZHJU-UHFFFAOYSA-N
XLogP2.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine (CID 83960289) is N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine is CCCC1CNc2ccc(CNC)cc21.
What is the InChIKey of N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine?
The InChIKey is YJNKLJXMZKZHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-4-11-9-15-13-6-5-10(8-14-2)7-12(11)13/h5-7,11,14-15H,3-4,8-9H2,1-2H3.
What are the key properties of N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine?
N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine is sourced from PubChem (CID 83960289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).