N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine

C15H27N3S — CID 102833635

IUPACN-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1C)C1CN(C)CCCN1C
InChIInChI=1S/C15H27N3S/c1-5-16-15(13-7-10-19-12(13)2)14-11-17(3)8-6-9-18(14)4/h7,10,14-16H,5-6,8-9,11H2,1-4H3
InChIKeyYILLNFJHWFUBGR-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.34
Rot. Bonds4

About N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine

N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 102833635) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
PubChem CID102833635
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1C)C1CN(C)CCCN1C
InChIInChI=1S/C15H27N3S/c1-5-16-15(13-7-10-19-12(13)2)14-11-17(3)8-6-9-18(14)4/h7,10,14-16H,5-6,8-9,11H2,1-4H3
InChIKeyYILLNFJHWFUBGR-UHFFFAOYSA-N
XLogP2.34
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine
CID 107360102
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832629
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105261282
N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106653850
[(1,4-dimethyl-1,4-diazepan-2-yl)-(4-propylphenyl)methyl]hydrazine
CID 105261179
N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688546
N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 79658937
[(4-methylthiomorpholin-3-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 106446271
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 114657756
[(4-bromothiophen-3-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261189
2-(azepan-1-yl)-N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102833059
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105261347

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine (CID 102833635) is N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccsc1C)C1CN(C)CCCN1C.
What is the InChIKey of N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is YILLNFJHWFUBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-16-15(13-7-10-19-12(13)2)14-11-17(3)8-6-9-18(14)4/h7,10,14-16H,5-6,8-9,11H2,1-4H3.
What are the key properties of N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 281.47 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 102833635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).