1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine

C13H23NOS — CID 115721641

IUPAC1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine
SMILESCCCCC(COC)NC(C)c1ccsc1
InChIInChI=1S/C13H23NOS/c1-4-5-6-13(9-15-3)14-11(2)12-7-8-16-10-12/h7-8,10-11,13-14H,4-6,9H2,1-3H3
InChIKeyQBVQMMINJMNGMX-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.60
Rot. Bonds8

About 1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine

1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine (PubChem CID 115721641) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine
PubChem CID115721641
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine
SMILESCCCCC(COC)NC(C)c1ccsc1
InChIInChI=1S/C13H23NOS/c1-4-5-6-13(9-15-3)14-11(2)12-7-8-16-10-12/h7-8,10-11,13-14H,4-6,9H2,1-3H3
InChIKeyQBVQMMINJMNGMX-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
3-hexan-2-ylthiophene
CID 18454785
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
3-(1-thiophen-3-ylethylamino)butan-1-ol
CID 81338166
N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
CID 115725339
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 55122255
3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol
CID 115891676
4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
CID 115722040
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 103785549
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine?
The IUPAC name of 1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine (CID 115721641) is 1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine.
What is the SMILES notation for 1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine?
The canonical SMILES for 1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine is CCCCC(COC)NC(C)c1ccsc1.
What is the InChIKey of 1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine?
The InChIKey is QBVQMMINJMNGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-5-6-13(9-15-3)14-11(2)12-7-8-16-10-12/h7-8,10-11,13-14H,4-6,9H2,1-3H3.
What are the key properties of 1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine?
1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(1-thiophen-3-ylethyl)hexan-2-amine is sourced from PubChem (CID 115721641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).