N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

C19H25NS — CID 105053686

IUPACN-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)c1ccc(C)s1
InChIInChI=1S/C19H25NS/c1-3-12-20-19(18-11-10-14(2)21-18)17-9-5-8-16(13-17)15-6-4-7-15/h5,8-11,13,15,19-20H,3-4,6-7,12H2,1-2H3
InChIKeyIKXJHNLAHCFJMJ-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.41
Rot. Bonds6

About N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 105053686) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID105053686
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)c1ccc(C)s1
InChIInChI=1S/C19H25NS/c1-3-12-20-19(18-11-10-14(2)21-18)17-9-5-8-16(13-17)15-6-4-7-15/h5,8-11,13,15,19-20H,3-4,6-7,12H2,1-2H3
InChIKeyIKXJHNLAHCFJMJ-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylthiophen-2-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 43494255
N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 114602740
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
CID 114602675
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146
N-[(3-bromo-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81472156
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696
[(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 105341956
1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105053631
N-[(3-cyclobutylphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105189636

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 105053686) is N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cccc(C2CCC2)c1)c1ccc(C)s1.
What is the InChIKey of N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is IKXJHNLAHCFJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-3-12-20-19(18-11-10-14(2)21-18)17-9-5-8-16(13-17)15-6-4-7-15/h5,8-11,13,15,19-20H,3-4,6-7,12H2,1-2H3.
What are the key properties of N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105053686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).