N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine

C13H23NOS — CID 105150190

IUPACN-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine
SMILESCCCOCCC(CCc1cccs1)NC
InChIInChI=1S/C13H23NOS/c1-3-9-15-10-8-12(14-2)6-7-13-5-4-11-16-13/h4-5,11-12,14H,3,6-10H2,1-2H3
InChIKeyJZZFWDNGOMRSEI-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.09
Rot. Bonds9

About N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine

N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine (PubChem CID 105150190) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine
PubChem CID105150190
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine
SMILESCCCOCCC(CCc1cccs1)NC
InChIInChI=1S/C13H23NOS/c1-3-9-15-10-8-12(14-2)6-7-13-5-4-11-16-13/h4-5,11-12,14H,3,6-10H2,1-2H3
InChIKeyJZZFWDNGOMRSEI-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine 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

N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65131658
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
N-methyl-1-phenyl-4-propoxybutan-2-amine
CID 105084507
N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
CID 103986936
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
2-(5-pentoxypentyl)thiophene
CID 91586139

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine?
The IUPAC name of N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine (CID 105150190) is N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine.
What is the SMILES notation for N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine?
The canonical SMILES for N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine is CCCOCCC(CCc1cccs1)NC.
What is the InChIKey of N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine?
The InChIKey is JZZFWDNGOMRSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-3-9-15-10-8-12(14-2)6-7-13-5-4-11-16-13/h4-5,11-12,14H,3,6-10H2,1-2H3.
What are the key properties of N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine?
N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine has a molecular weight of 241.40 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine is sourced from PubChem (CID 105150190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).