2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine

C16H29NS — CID 63773755

IUPAC2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
SMILESCCC(CC)(CCc1cccs1)CNCC(C)C
InChIInChI=1S/C16H29NS/c1-5-16(6-2,13-17-12-14(3)4)10-9-15-8-7-11-18-15/h7-8,11,14,17H,5-6,9-10,12-13H2,1-4H3
InChIKeyIKJQOBTWCMJEGS-UHFFFAOYSA-N
MW267.48 g/mol
LogP4.73
Rot. Bonds9

About 2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine

2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 63773755) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID63773755
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
SMILESCCC(CC)(CCc1cccs1)CNCC(C)C
InChIInChI=1S/C16H29NS/c1-5-16(6-2,13-17-12-14(3)4)10-9-15-8-7-11-18-15/h7-8,11,14,17H,5-6,9-10,12-13H2,1-4H3
InChIKeyIKJQOBTWCMJEGS-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63773575
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007
2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
CID 55237684
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
CID 63773571
3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine
CID 62486334
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
2,2-diethyl-N-(2-methylpropyl)-4-phenoxybutan-1-amine
CID 63508115
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83054806
2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine
CID 102641460
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
CID 79494469
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine (CID 63773755) is 2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine is CCC(CC)(CCc1cccs1)CNCC(C)C.
What is the InChIKey of 2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is IKJQOBTWCMJEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-5-16(6-2,13-17-12-14(3)4)10-9-15-8-7-11-18-15/h7-8,11,14,17H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine?
2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63773755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).