N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine

C14H19N3S — CID 50952548

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(CN(Cc2nc[nH]c2C)C2CC2)s1
InChIInChI=1S/C14H19N3S/c1-10-3-6-13(18-10)7-17(12-4-5-12)8-14-11(2)15-9-16-14/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,15,16)
InChIKeyVYYSSMDDAGNJTC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.25
Rot. Bonds5

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine (PubChem CID 50952548) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
PubChem CID50952548
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(CN(Cc2nc[nH]c2C)C2CC2)s1
InChIInChI=1S/C14H19N3S/c1-10-3-6-13(18-10)7-17(12-4-5-12)8-14-11(2)15-9-16-14/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,15,16)
InChIKeyVYYSSMDDAGNJTC-UHFFFAOYSA-N
XLogP3.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine (CID 50952548) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine is Cc1ccc(CN(Cc2nc[nH]c2C)C2CC2)s1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is VYYSSMDDAGNJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-3-6-13(18-10)7-17(12-4-5-12)8-14-11(2)15-9-16-14/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 261.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 50952548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).