3-methyl-4-thiophen-2-ylpentan-1-amine

C10H17NS — CID 83934757

IUPAC3-methyl-4-thiophen-2-ylpentan-1-amine
SMILESCC(CCN)C(C)c1cccs1
InChIInChI=1S/C10H17NS/c1-8(5-6-11)9(2)10-4-3-7-12-10/h3-4,7-9H,5-6,11H2,1-2H3
InChIKeyZQEXBAPGNVHQEY-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.84
Rot. Bonds4

About 3-methyl-4-thiophen-2-ylpentan-1-amine

3-methyl-4-thiophen-2-ylpentan-1-amine (PubChem CID 83934757) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3-methyl-4-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-4-thiophen-2-ylpentan-1-amine
PubChem CID83934757
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3-methyl-4-thiophen-2-ylpentan-1-amine
SMILESCC(CCN)C(C)c1cccs1
InChIInChI=1S/C10H17NS/c1-8(5-6-11)9(2)10-4-3-7-12-10/h3-4,7-9H,5-6,11H2,1-2H3
InChIKeyZQEXBAPGNVHQEY-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-propan-2-ylthiophene
CID 178128598
2-[(2S,3S)-3-bromobutan-2-yl]thiophene
CID 97044464
4-amino-2-(methylamino)-1-thiophen-2-ylbutan-1-ol
CID 83934772
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295
3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 112501785
4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516897
3-(thiophen-2-ylmethylsulfinyl)butan-1-amine
CID 81195723
3-(thiophen-2-ylmethoxy)butan-1-amine
CID 114995869
4-(4-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516898
1-amino-6-methyl-2-thiophen-2-ylheptan-3-ol
CID 65190040

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-thiophen-2-ylpentan-1-amine?
The IUPAC name of 3-methyl-4-thiophen-2-ylpentan-1-amine (CID 83934757) is 3-methyl-4-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for 3-methyl-4-thiophen-2-ylpentan-1-amine?
The canonical SMILES for 3-methyl-4-thiophen-2-ylpentan-1-amine is CC(CCN)C(C)c1cccs1.
What is the InChIKey of 3-methyl-4-thiophen-2-ylpentan-1-amine?
The InChIKey is ZQEXBAPGNVHQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-8(5-6-11)9(2)10-4-3-7-12-10/h3-4,7-9H,5-6,11H2,1-2H3.
What are the key properties of 3-methyl-4-thiophen-2-ylpentan-1-amine?
3-methyl-4-thiophen-2-ylpentan-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 83934757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).