N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine

C13H20N2S — CID 80650038

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1cccc2c1NCC2
InChIInChI=1S/C13H20N2S/c1-16-9-3-7-14-10-12-5-2-4-11-6-8-15-13(11)12/h2,4-5,14-15H,3,6-10H2,1H3
InChIKeyAODBRLBXLRPBFF-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.50
Rot. Bonds6

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine (PubChem CID 80650038) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine
PubChem CID80650038
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine
SMILESCSCCCNCc1cccc2c1NCC2
InChIInChI=1S/C13H20N2S/c1-16-9-3-7-14-10-12-5-2-4-11-6-8-15-13(11)12/h2,4-5,14-15H,3,6-10H2,1H3
InChIKeyAODBRLBXLRPBFF-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 80649137
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butanoic acid
CID 80649501
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine
CID 80649994
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide
CID 80649036
N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 80649056
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
CID 80650330
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-morpholin-4-ylethanamine
CID 80649987

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine (CID 80650038) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine is CSCCCNCc1cccc2c1NCC2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine?
The InChIKey is AODBRLBXLRPBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-16-9-3-7-14-10-12-5-2-4-11-6-8-15-13(11)12/h2,4-5,14-15H,3,6-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine has a molecular weight of 236.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 80650038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).