N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine

C14H20BrN5S — CID 62462433

IUPACN-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)Cc1csc(Br)c1
InChIInChI=1S/C14H20BrN5S/c1-19(8-11-6-14(15)21-10-11)4-5-20-9-13(17-18-20)7-16-12-2-3-12/h6,9-10,12,16H,2-5,7-8H2,1H3
InChIKeyHCTSWYLBLQUWQD-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.49
Rot. Bonds8

About N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62462433) has the molecular formula C14H20BrN5S and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62462433
Molecular FormulaC14H20BrN5S
Molecular Weight370.32 g/mol
Exact Mass369.06
IUPAC NameN-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)Cc1csc(Br)c1
InChIInChI=1S/C14H20BrN5S/c1-19(8-11-6-14(15)21-10-11)4-5-20-9-13(17-18-20)7-16-12-2-3-12/h6,9-10,12,16H,2-5,7-8H2,1H3
InChIKeyHCTSWYLBLQUWQD-UHFFFAOYSA-N
XLogP2.49
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62462433) is N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine is CN(CCn1cc(CNC2CC2)nn1)Cc1csc(Br)c1.
What is the InChIKey of N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is HCTSWYLBLQUWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5S/c1-19(8-11-6-14(15)21-10-11)4-5-20-9-13(17-18-20)7-16-12-2-3-12/h6,9-10,12,16H,2-5,7-8H2,1H3.
What are the key properties of N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 370.32 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62462433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).