3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine

C14H25NS — CID 65303987

IUPAC3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
SMILESCCCNCCC(C)CCc1sccc1C
InChIInChI=1S/C14H25NS/c1-4-9-15-10-7-12(2)5-6-14-13(3)8-11-16-14/h8,11-12,15H,4-7,9-10H2,1-3H3
InChIKeyKYBSZIWIXPXSEN-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.01
Rot. Bonds8

About 3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine

3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine (PubChem CID 65303987) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
PubChem CID65303987
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
SMILESCCCNCCC(C)CCc1sccc1C
InChIInChI=1S/C14H25NS/c1-4-9-15-10-7-12(2)5-6-14-13(3)8-11-16-14/h8,11-12,15H,4-7,9-10H2,1-3H3
InChIKeyKYBSZIWIXPXSEN-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.01
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

2-methyl-3-(3-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 79995326
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
2-(3-chlorohexyl)-3-methylthiophene
CID 79996095
N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-1-amine
CID 65303941
N-[2-[1-[2-(3-methylthiophen-2-yl)ethyl]cyclohexyl]ethyl]propan-1-amine
CID 65304934
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-ol
CID 79995429
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
3-methyl-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
3-[2-(3-methylthiophen-2-yl)ethylamino]propane-1-thiol
CID 115225201
3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 81024674
N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine
CID 79994930

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine (CID 65303987) is 3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine is CCCNCCC(C)CCc1sccc1C.
What is the InChIKey of 3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine?
The InChIKey is KYBSZIWIXPXSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-9-15-10-7-12(2)5-6-14-13(3)8-11-16-14/h8,11-12,15H,4-7,9-10H2,1-3H3.
What are the key properties of 3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine?
3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 65303987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).