3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal

C13H19NOS — CID 62276426

IUPAC3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H19NOS/c1-13(2,10-15)9-14(12-3-4-12)7-11-5-6-16-8-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyRJRWEHXGCJTIMW-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.94
Rot. Bonds6

About 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal

3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal (PubChem CID 62276426) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal
PubChem CID62276426
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H19NOS/c1-13(2,10-15)9-14(12-3-4-12)7-11-5-6-16-8-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyRJRWEHXGCJTIMW-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62259598
N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258731
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 76940728
(E)-4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 62342528
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal (CID 62276426) is 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal is CC(C)(C=O)CN(Cc1ccsc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal?
The InChIKey is RJRWEHXGCJTIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2,10-15)9-14(12-3-4-12)7-11-5-6-16-8-11/h5-6,8,10,12H,3-4,7,9H2,1-2H3.
What are the key properties of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal?
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal has a molecular weight of 237.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62276426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).