N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine

C14H23NO2S — CID 60816179

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNC(c1cccs1)C1CCCC1)OC
InChIInChI=1S/C14H23NO2S/c1-16-13(17-2)10-15-14(11-6-3-4-7-11)12-8-5-9-18-12/h5,8-9,11,13-15H,3-4,6-7,10H2,1-2H3
InChIKeyASVPQTIUPYWWKU-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.19
Rot. Bonds7

About N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine

N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine (PubChem CID 60816179) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
PubChem CID60816179
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
SMILESCOC(CNC(c1cccs1)C1CCCC1)OC
InChIInChI=1S/C14H23NO2S/c1-16-13(17-2)10-15-14(11-6-3-4-7-11)12-8-5-9-18-12/h5,8-9,11,13-15H,3-4,6-7,10H2,1-2H3
InChIKeyASVPQTIUPYWWKU-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
N-(dithiophen-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60816965
N-[cyclopentyl(thiophen-2-yl)methyl]-2-ethylhexan-1-amine
CID 43767528
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960997
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 112840118
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
CID 107417281
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
tert-butyl N-[1-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-yl]carbamate
CID 107247756
1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 60858994
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine (CID 60816179) is N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine is COC(CNC(c1cccs1)C1CCCC1)OC.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine?
The InChIKey is ASVPQTIUPYWWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-16-13(17-2)10-15-14(11-6-3-4-7-11)12-8-5-9-18-12/h5,8-9,11,13-15H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine?
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine has a molecular weight of 269.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 60816179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).