N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine

C12H15NS — CID 63655817

IUPACN-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESC#CCCN(Cc1cccs1)C1CC1
InChIInChI=1S/C12H15NS/c1-2-3-8-13(11-6-7-11)10-12-5-4-9-14-12/h1,4-5,9,11H,3,6-8,10H2
InChIKeyDQTBOSPOQWFEQU-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.74
Rot. Bonds5

About N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine

N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine (PubChem CID 63655817) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
PubChem CID63655817
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESC#CCCN(Cc1cccs1)C1CC1
InChIInChI=1S/C12H15NS/c1-2-3-8-13(11-6-7-11)10-12-5-4-9-14-12/h1,4-5,9,11H,3,6-8,10H2
InChIKeyDQTBOSPOQWFEQU-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine 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

9-[cyclopropyl(thiophen-2-ylmethyl)amino]nonane-1-thiol
CID 105344206
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline
CID 62496584
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677499
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55249177
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine (CID 63655817) is N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine is C#CCCN(Cc1cccs1)C1CC1.
What is the InChIKey of N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine?
The InChIKey is DQTBOSPOQWFEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-2-3-8-13(11-6-7-11)10-12-5-4-9-14-12/h1,4-5,9,11H,3,6-8,10H2.
What are the key properties of N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine?
N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine has a molecular weight of 205.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 63655817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).