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

C19H25NS — CID 65105153

IUPACN-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H25NS/c1-3-12-20-18(16-13-15(2)21-14-16)19(10-7-11-19)17-8-5-4-6-9-17/h4-6,8-9,13-14,18,20H,3,7,10-12H2,1-2H3
InChIKeyNJCDDEQXDYSWJS-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.22
Rot. Bonds6

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

N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine (PubChem CID 65105153) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
PubChem CID65105153
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H25NS/c1-3-12-20-18(16-13-15(2)21-14-16)19(10-7-11-19)17-8-5-4-6-9-17/h4-6,8-9,13-14,18,20H,3,7,10-12H2,1-2H3
InChIKeyNJCDDEQXDYSWJS-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine
CID 65104467
[(5-methylthiophen-3-yl)-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217208
N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63078815
N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116770453
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116767394
N-[1-(1-phenylcyclopentyl)ethyl]propan-1-amine
CID 63079548
N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine
CID 63079873
N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 63963923
N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 103130823
N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65410330
1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 65104437
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine (CID 65105153) is N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine is CCCNC(c1csc(C)c1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
The InChIKey is NJCDDEQXDYSWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-3-12-20-18(16-13-15(2)21-14-16)19(10-7-11-19)17-8-5-4-6-9-17/h4-6,8-9,13-14,18,20H,3,7,10-12H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 65105153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).