3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine

C15H27NOS — CID 62486334

IUPAC3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine
SMILESCC(C)CNCC(OCCc1cccs1)C(C)C
InChIInChI=1S/C15H27NOS/c1-12(2)10-16-11-15(13(3)4)17-8-7-14-6-5-9-18-14/h5-6,9,12-13,15-16H,7-8,10-11H2,1-4H3
InChIKeyZADPFOJBSAHWCY-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.58
Rot. Bonds9

About 3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine

3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine (PubChem CID 62486334) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine
PubChem CID62486334
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine
SMILESCC(C)CNCC(OCCc1cccs1)C(C)C
InChIInChI=1S/C15H27NOS/c1-12(2)10-16-11-15(13(3)4)17-8-7-14-6-5-9-18-14/h5-6,9,12-13,15-16H,7-8,10-11H2,1-4H3
InChIKeyZADPFOJBSAHWCY-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62583502
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 63773755
2-methyl-N-[[3-(2-thiophen-2-ylethoxymethyl)phenyl]methyl]propan-1-amine
CID 62485809
N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 103228622
N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391410
N-[[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63776384
2-methyl-N-[[6-methyl-4-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253361
N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62321402
N-[[5-chloro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928581
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine (CID 62486334) is 3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine is CC(C)CNCC(OCCc1cccs1)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine?
The InChIKey is ZADPFOJBSAHWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-12(2)10-16-11-15(13(3)4)17-8-7-14-6-5-9-18-14/h5-6,9,12-13,15-16H,7-8,10-11H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine?
3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine has a molecular weight of 269.45 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine is sourced from PubChem (CID 62486334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).