1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine

C17H24N2S — CID 175071767

IUPAC1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine
SMILESCSCC1(CNC(C)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N2S/c1-13(19-11-17(7-8-17)12-20-2)9-14-10-18-16-6-4-3-5-15(14)16/h3-6,10,13,18-19H,7-9,11-12H2,1-2H3
InChIKeyWXPFCOWCWATZMA-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.83
Rot. Bonds7

About 1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine

1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 175071767) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine
PubChem CID175071767
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine
SMILESCSCC1(CNC(C)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N2S/c1-13(19-11-17(7-8-17)12-20-2)9-14-10-18-16-6-4-3-5-15(14)16/h3-6,10,13,18-19H,7-9,11-12H2,1-2H3
InChIKeyWXPFCOWCWATZMA-UHFFFAOYSA-N
XLogP3.83
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine
CID 138608964
(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
CID 131965234
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
CID 138643387
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
methyl 3-[1-(1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoate
CID 146188971
3-(2-fluoropropyl)-1H-indole
CID 142409179
ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 144733138
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of 1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine (CID 175071767) is 1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine is CSCC1(CNC(C)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is WXPFCOWCWATZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13(19-11-17(7-8-17)12-20-2)9-14-10-18-16-6-4-3-5-15(14)16/h3-6,10,13,18-19H,7-9,11-12H2,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine?
1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 175071767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).