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

C14H19N3S — CID 114204166

IUPACN-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(C(C)n2cnc(CNC3CC3)c2)s1
InChIInChI=1S/C14H19N3S/c1-10-3-6-14(18-10)11(2)17-8-13(16-9-17)7-15-12-4-5-12/h3,6,8-9,11-12,15H,4-5,7H2,1-2H3
InChIKeyBRYYAJLEGCMPCB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.11
Rot. Bonds5

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

N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 114204166) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID114204166
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(C(C)n2cnc(CNC3CC3)c2)s1
InChIInChI=1S/C14H19N3S/c1-10-3-6-14(18-10)11(2)17-8-13(16-9-17)7-15-12-4-5-12/h3,6,8-9,11-12,15H,4-5,7H2,1-2H3
InChIKeyBRYYAJLEGCMPCB-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine (CID 114204166) is N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine is Cc1ccc(C(C)n2cnc(CNC3CC3)c2)s1.
What is the InChIKey of N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is BRYYAJLEGCMPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-3-6-14(18-10)11(2)17-8-13(16-9-17)7-15-12-4-5-12/h3,6,8-9,11-12,15H,4-5,7H2,1-2H3.
What are the key properties of N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 261.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114204166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).