2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde

C14H18N2O — CID 174496386

IUPAC2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde
SMILESCc1cc2ccccc2n1C[C@H](C)NCC=O
InChIInChI=1S/C14H18N2O/c1-11(15-7-8-17)10-16-12(2)9-13-5-3-4-6-14(13)16/h3-6,8-9,11,15H,7,10H2,1-2H3/t11-/m0/s1
InChIKeyDNJCPZCIIJKMSL-NSHDSACASA-N
MW230.31 g/mol
LogP2.13
Rot. Bonds5

About 2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde

2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde (PubChem CID 174496386) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde
PubChem CID174496386
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde
SMILESCc1cc2ccccc2n1C[C@H](C)NCC=O
InChIInChI=1S/C14H18N2O/c1-11(15-7-8-17)10-16-12(2)9-13-5-3-4-6-14(13)16/h3-6,8-9,11,15H,7,10H2,1-2H3/t11-/m0/s1
InChIKeyDNJCPZCIIJKMSL-NSHDSACASA-N
XLogP2.13
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2-methylindol-1-yl)propan-2-ol
CID 177480957
1-(2-ethylbutyl)-2-methylindole
CID 82925203
3-amino-1-(2-methylindol-1-yl)butan-2-ol
CID 67714768
(2S)-N-[2-(2-methylindol-1-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 95221915
1-(2-methylindol-1-yl)propan-2-yl hydrogen sulfate
CID 88819965
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
3,3,3-trifluoro-2-[(2-methylindol-1-yl)methyl]propanoic acid
CID 113259082
N-[(2S)-1-methoxypropan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 33342108
1-but-2-enyl-2-methylindole
CID 77019089
propan-2-yl 2-(2-methylindol-1-yl)acetate
CID 54940863
2-propan-2-ylindole-1-carbaldehyde
CID 119084324
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde?
The IUPAC name of 2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde (CID 174496386) is 2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde.
What is the SMILES notation for 2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde?
The canonical SMILES for 2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde is Cc1cc2ccccc2n1C[C@H](C)NCC=O.
What is the InChIKey of 2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde?
The InChIKey is DNJCPZCIIJKMSL-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(15-7-8-17)10-16-12(2)9-13-5-3-4-6-14(13)16/h3-6,8-9,11,15H,7,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde?
2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde has a molecular weight of 230.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde is sourced from PubChem (CID 174496386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).