N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine

C13H23NOS — CID 115710390

IUPACN-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine
SMILESCOc1ccsc1CNC(C)CCC(C)C
InChIInChI=1S/C13H23NOS/c1-10(2)5-6-11(3)14-9-13-12(15-4)7-8-16-13/h7-8,10-11,14H,5-6,9H2,1-4H3
InChIKeyLXSQPSZZKPIVKL-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.67
Rot. Bonds7

About N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine

N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine (PubChem CID 115710390) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine
PubChem CID115710390
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine
SMILESCOc1ccsc1CNC(C)CCC(C)C
InChIInChI=1S/C13H23NOS/c1-10(2)5-6-11(3)14-9-13-12(15-4)7-8-16-13/h7-8,10-11,14H,5-6,9H2,1-4H3
InChIKeyLXSQPSZZKPIVKL-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
CID 104868109
1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
CID 113407643
N-[2-[(5-methylhexan-2-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385102
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine
CID 43087547
2-[(3-methoxythiophen-2-yl)methylamino]ethanol
CID 115710462
(1R)-N-[(3-bromothiophen-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81387303
1-methoxy-N-[(3-methoxythiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 115710675
N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115711072
2-[(hexan-2-ylamino)methyl]thiophen-3-amine
CID 66385998
5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine
CID 115710643
N-benzyl-5-methylhexan-2-amine
CID 43177530
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine (CID 115710390) is N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine is COc1ccsc1CNC(C)CCC(C)C.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine?
The InChIKey is LXSQPSZZKPIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-10(2)5-6-11(3)14-9-13-12(15-4)7-8-16-13/h7-8,10-11,14H,5-6,9H2,1-4H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine?
N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiophen-2-yl)methyl]-5-methylhexan-2-amine is sourced from PubChem (CID 115710390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).