3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine

C15H27NS — CID 83139408

IUPAC3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine
SMILESCCCNCC(CCc1ccsc1)C(C)(C)C
InChIInChI=1S/C15H27NS/c1-5-9-16-11-14(15(2,3)4)7-6-13-8-10-17-12-13/h8,10,12,14,16H,5-7,9,11H2,1-4H3
InChIKeyMGHWBVXPMVWZIR-UHFFFAOYSA-N
MW253.45 g/mol
LogP4.34
Rot. Bonds7

About 3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine

3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine (PubChem CID 83139408) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine
PubChem CID83139408
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine
SMILESCCCNCC(CCc1ccsc1)C(C)(C)C
InChIInChI=1S/C15H27NS/c1-5-9-16-11-14(15(2,3)4)7-6-13-8-10-17-12-13/h8,10,12,14,16H,5-7,9,11H2,1-4H3
InChIKeyMGHWBVXPMVWZIR-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.34
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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Related Compounds

3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine
CID 83139185
2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
CID 102640854
2-tert-butyl-N-propylhexan-1-amine
CID 83138918
1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115856935
1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 115623841
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
2-methyl-4-thiophen-3-ylbutanal
CID 64664525

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine (CID 83139408) is 3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine is CCCNCC(CCc1ccsc1)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine?
The InChIKey is MGHWBVXPMVWZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-5-9-16-11-14(15(2,3)4)7-6-13-8-10-17-12-13/h8,10,12,14,16H,5-7,9,11H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine?
3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine has a molecular weight of 253.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine is sourced from PubChem (CID 83139408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).