N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide

C12H15N3O — CID 89381035

IUPACN-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide
SMILESCN[C@H](Cc1c[nH]c2ccccc12)NC=O
InChIInChI=1S/C12H15N3O/c1-13-12(15-8-16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,12-14H,6H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyWTXSKZOUYNYJHE-LBPRGKRZSA-N
MW217.27 g/mol
LogP1.00
Rot. Bonds5

About N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide

N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide (PubChem CID 89381035) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide
PubChem CID89381035
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide
SMILESCN[C@H](Cc1c[nH]c2ccccc12)NC=O
InChIInChI=1S/C12H15N3O/c1-13-12(15-8-16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,12-14H,6H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyWTXSKZOUYNYJHE-LBPRGKRZSA-N
XLogP1.00
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]formamide
CID 123425108
2-amino-N-[(2R)-1-[[(1S)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 10896048
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
2-(dimethylamino)-N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 10940067
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
2-amino-3-(1H-indol-3-yl)propanal;methoxymethane
CID 144925786
2-(dimethylamino)-N-[(2R)-2-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)propanoyl]-2-methylpropanamide
CID 24848883
3-(2-fluoropropyl)-1H-indole
CID 142409179
ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 144733138
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
tert-butyl N-[1-[[(2R)-1-[[(1S)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 10886330

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide?
The IUPAC name of N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide (CID 89381035) is N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide.
What is the SMILES notation for N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide?
The canonical SMILES for N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide is CN[C@H](Cc1c[nH]c2ccccc12)NC=O.
What is the InChIKey of N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide?
The InChIKey is WTXSKZOUYNYJHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-12(15-8-16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,12-14H,6H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide?
N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide has a molecular weight of 217.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(1H-indol-3-yl)-1-(methylamino)ethyl]formamide is sourced from PubChem (CID 89381035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).