2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde

C11H17NOS — CID 115223622

IUPAC2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
SMILESCc1ccsc1C(C)(C)CNCC=O
InChIInChI=1S/C11H17NOS/c1-9-4-7-14-10(9)11(2,3)8-12-5-6-13/h4,6-7,12H,5,8H2,1-3H3
InChIKeyDDQMKTFOTWTRNF-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.12
Rot. Bonds5

About 2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde

2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde (PubChem CID 115223622) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
PubChem CID115223622
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde
SMILESCc1ccsc1C(C)(C)CNCC=O
InChIInChI=1S/C11H17NOS/c1-9-4-7-14-10(9)11(2,3)8-12-5-6-13/h4,6-7,12H,5,8H2,1-3H3
InChIKeyDDQMKTFOTWTRNF-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
CID 115235349
N-(2-chloroethyl)-2-methyl-2-(3-methylthiophen-2-yl)propan-1-amine
CID 115215359
2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine
CID 115200327
4-amino-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115155557
2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
CID 83692596
2-methyl-2-(3-methylthiophen-2-yl)-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238232
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017
N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine
CID 79995989
2-cyano-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]butanamide
CID 115188496
5-bromo-3-methyl-N-[2-methyl-2-(3-methylthiophen-2-yl)propyl]pyridin-2-amine
CID 115148718
(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
CID 130055008
2-[[2-methyl-2-(4-phenylphenyl)propyl]amino]acetaldehyde
CID 115223529

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde?
The IUPAC name of 2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde (CID 115223622) is 2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde.
What is the SMILES notation for 2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde?
The canonical SMILES for 2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde is Cc1ccsc1C(C)(C)CNCC=O.
What is the InChIKey of 2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde?
The InChIKey is DDQMKTFOTWTRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-4-7-14-10(9)11(2,3)8-12-5-6-13/h4,6-7,12H,5,8H2,1-3H3.
What are the key properties of 2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde?
2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde has a molecular weight of 211.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]acetaldehyde is sourced from PubChem (CID 115223622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).