1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine

C20H34N4S — CID 170625177

IUPAC1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine
SMILESC=CNS(=C)CCC.CNC1CCN(c2cccc3c2CCN3)CC1
InChIInChI=1S/C14H21N3.C6H13NS/c1-15-11-6-9-17(10-7-11)14-4-2-3-13-12(14)5-8-16-13;1-4-6-8(3)7-5-2/h2-4,11,15-16H,5-10H2,1H3;5,7H,2-4,6H2,1H3
InChIKeyITHZHGUOMFMMNG-UHFFFAOYSA-N
MW362.59 g/mol
LogP3.59
Rot. Bonds6

About 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine

1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine (PubChem CID 170625177) has the molecular formula C20H34N4S and a molecular weight of 362.59 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine
PubChem CID170625177
Molecular FormulaC20H34N4S
Molecular Weight362.59 g/mol
Exact Mass362.25
IUPAC Name1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine
SMILESC=CNS(=C)CCC.CNC1CCN(c2cccc3c2CCN3)CC1
InChIInChI=1S/C14H21N3.C6H13NS/c1-15-11-6-9-17(10-7-11)14-4-2-3-13-12(14)5-8-16-13;1-4-6-8(3)7-5-2/h2-4,11,15-16H,5-10H2,1H3;5,7H,2-4,6H2,1H3
InChIKeyITHZHGUOMFMMNG-UHFFFAOYSA-N
XLogP3.59
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.59
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine with MolForge

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Related Compounds

5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215404
5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214740
tert-butyl 2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]acetate
CID 170625428
5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215390
2-[1-(2,3-dihydro-1H-indol-4-yl)piperidin-3-yl]-2-phenylacetic acid
CID 174604963
5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 102965800
8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 103142180
5-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81215388
4-(2,3-dihydro-1H-indol-4-yl)piperazine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 170159245
2,6-dimethyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)morpholine
CID 81215266
3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 81214470
1-[2-(difluoromethylsulfanyl)phenyl]-N-methylpiperidin-4-amine
CID 54927801

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine?
The IUPAC name of 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine (CID 170625177) is 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine is C=CNS(=C)CCC.CNC1CCN(c2cccc3c2CCN3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine?
The InChIKey is ITHZHGUOMFMMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.C6H13NS/c1-15-11-6-9-17(10-7-11)14-4-2-3-13-12(14)5-8-16-13;1-4-6-8(3)7-5-2/h2-4,11,15-16H,5-10H2,1H3;5,7H,2-4,6H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine?
1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine has a molecular weight of 362.59 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-4-yl)-N-methylpiperidin-4-amine;N-[methylidene(propyl)-λ4-sulfanyl]ethenamine is sourced from PubChem (CID 170625177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).