4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol

C12H19NOS — CID 61435347

IUPAC4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
SMILESOCCCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H19NOS/c14-7-2-1-6-13(12-3-4-12)9-11-5-8-15-10-11/h5,8,10,12,14H,1-4,6-7,9H2
InChIKeyOZWHZBHCJUBLPT-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.48
Rot. Bonds7

About 4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol

4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol (PubChem CID 61435347) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
PubChem CID61435347
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
SMILESOCCCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H19NOS/c14-7-2-1-6-13(12-3-4-12)9-11-5-8-15-10-11/h5,8,10,12,14H,1-4,6-7,9H2
InChIKeyOZWHZBHCJUBLPT-UHFFFAOYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965704
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879
N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62212509
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol?
The IUPAC name of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol (CID 61435347) is 4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol is OCCCCN(Cc1ccsc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol?
The InChIKey is OZWHZBHCJUBLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c14-7-2-1-6-13(12-3-4-12)9-11-5-8-15-10-11/h5,8,10,12,14H,1-4,6-7,9H2.
What are the key properties of 4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol?
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 61435347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).