N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine

C16H25BrN2OS — CID 62391516

IUPACN-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCN(Cc1csc(Br)c1)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C16H25BrN2OS/c1-19(9-13-8-15(17)21-10-13)12-16(4-6-20-7-5-16)11-18-14-2-3-14/h8,10,14,18H,2-7,9,11-12H2,1H3
InChIKeyIIMLXBRLPGDUDC-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.49
Rot. Bonds7

About N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62391516) has the molecular formula C16H25BrN2OS and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62391516
Molecular FormulaC16H25BrN2OS
Molecular Weight373.36 g/mol
Exact Mass372.09
IUPAC NameN-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCN(Cc1csc(Br)c1)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C16H25BrN2OS/c1-19(9-13-8-15(17)21-10-13)12-16(4-6-20-7-5-16)11-18-14-2-3-14/h8,10,14,18H,2-7,9,11-12H2,1H3
InChIKeyIIMLXBRLPGDUDC-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62391516) is N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine is CN(Cc1csc(Br)c1)CC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is IIMLXBRLPGDUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2OS/c1-19(9-13-8-15(17)21-10-13)12-16(4-6-20-7-5-16)11-18-14-2-3-14/h8,10,14,18H,2-7,9,11-12H2,1H3.
What are the key properties of N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 373.36 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62391516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).