1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine

C14H23NS — CID 115769840

IUPAC1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine
SMILESCCCC(NC(C)Cc1ccsc1)C1CC1
InChIInChI=1S/C14H23NS/c1-3-4-14(13-5-6-13)15-11(2)9-12-7-8-16-10-12/h7-8,10-11,13-15H,3-6,9H2,1-2H3
InChIKeyIGMPXGULLRNKLE-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.85
Rot. Bonds7

About 1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine

1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine (PubChem CID 115769840) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine
PubChem CID115769840
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine
SMILESCCCC(NC(C)Cc1ccsc1)C1CC1
InChIInChI=1S/C14H23NS/c1-3-4-14(13-5-6-13)15-11(2)9-12-7-8-16-10-12/h7-8,10-11,13-15H,3-6,9H2,1-2H3
InChIKeyIGMPXGULLRNKLE-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dipropyl-((1S,2S)-2-thiophen-2-yl-cyclopropyl)-amine
CID 10609150
Dipropyl-((1R,2R)-2-thiophen-2-yl-cyclopropyl)-amine
CID 10632876
(1S,5R)-1-(3-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561253
N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride
CID 45259849
4-(3-Thienyl)piperidine
CID 19847314
1-(Thiophen-3-yl)propan-2-amine
CID 13188564
rac-(1R,2S)-2-(thiophen-3-yl)cyclopropan-1-amine
CID 28901759
Methyl[1-(thiophen-3-yl)propan-2-yl]amine
CID 61077840
Ethanethiol, 2-((4-(3-thienyl)butyl)amino)-, hydrogen sulfate (ester)
CID 217518
Methyl[1-(thiophen-3-yl)propan-2-yl]amine hydrochloride
CID 73994837
2-(Thiophen-3-yl)pyrrolidine
CID 3988672
4-(Thiophen-3-yl)piperidine hydrochloride
CID 45073797

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine (CID 115769840) is 1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine is CCCC(NC(C)Cc1ccsc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine?
The InChIKey is IGMPXGULLRNKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-4-14(13-5-6-13)15-11(2)9-12-7-8-16-10-12/h7-8,10-11,13-15H,3-6,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine?
1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 115769840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).