1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde

C13H19NOS — CID 62277733

IUPAC1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCN(Cc1cccs1)CC1(C=O)CCCC1
InChIInChI=1S/C13H19NOS/c1-14(9-12-5-4-8-16-12)10-13(11-15)6-2-3-7-13/h4-5,8,11H,2-3,6-7,9-10H2,1H3
InChIKeyYFAAKOZJEWHMNL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.94
Rot. Bonds5

About 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde

1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62277733) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID62277733
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCN(Cc1cccs1)CC1(C=O)CCCC1
InChIInChI=1S/C13H19NOS/c1-14(9-12-5-4-8-16-12)10-13(11-15)6-2-3-7-13/h4-5,8,11H,2-3,6-7,9-10H2,1H3
InChIKeyYFAAKOZJEWHMNL-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

2-methyl-N-[[1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 63484371
1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]cyclohexan-1-amine
CID 64677713
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242334
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 83073731
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745371
1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
CID 79074938
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 81171454
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 62277733) is 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde is CN(Cc1cccs1)CC1(C=O)CCCC1.
What is the InChIKey of 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is YFAAKOZJEWHMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-14(9-12-5-4-8-16-12)10-13(11-15)6-2-3-7-13/h4-5,8,11H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 237.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62277733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).