2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine

C15H25NS — CID 83159233

IUPAC2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCNCC(C)(CCc1cccs1)C1CC1
InChIInChI=1S/C15H25NS/c1-3-10-16-12-15(2,13-6-7-13)9-8-14-5-4-11-17-14/h4-5,11,13,16H,3,6-10,12H2,1-2H3
InChIKeyXELZLYQAWYUHFL-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.10
Rot. Bonds8

About 2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine

2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 83159233) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
PubChem CID83159233
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCNCC(C)(CCc1cccs1)C1CC1
InChIInChI=1S/C15H25NS/c1-3-10-16-12-15(2,13-6-7-13)9-8-14-5-4-11-17-14/h4-5,11,13,16H,3,6-10,12H2,1-2H3
InChIKeyXELZLYQAWYUHFL-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-cyclopropyl-2-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 83160239
2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63773575
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593
N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine
CID 81017720
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine
CID 83159341
2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967
2,2-dimethyl-N-propan-2-yl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258945
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654
4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine
CID 83160233

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine (CID 83159233) is 2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine is CCCNCC(C)(CCc1cccs1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is XELZLYQAWYUHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-10-16-12-15(2,13-6-7-13)9-8-14-5-4-11-17-14/h4-5,11,13,16H,3,6-10,12H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 83159233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).