N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine

C13H23N3S2 — CID 79965935

IUPACN-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)C1CSCCS1
InChIInChI=1S/C13H23N3S2/c1-3-6-16-7-5-15-13(16)12(14-4-2)11-10-17-8-9-18-11/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3
InChIKeyYWDZCIHXSXVVRU-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.79
Rot. Bonds6

About N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine

N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 79965935) has the molecular formula C13H23N3S2 and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID79965935
Molecular FormulaC13H23N3S2
Molecular Weight285.48 g/mol
Exact Mass285.13
IUPAC NameN-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1C(NCC)C1CSCCS1
InChIInChI=1S/C13H23N3S2/c1-3-6-16-7-5-15-13(16)12(14-4-2)11-10-17-8-9-18-11/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3
InChIKeyYWDZCIHXSXVVRU-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79962860
1-(1,4-dithian-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79965965
N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 106445379
N-[(1,1-dioxothian-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 115858962
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 114658042
1-(1,4-dithian-2-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530528
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
N-ethyl-1-(1-propylimidazol-2-yl)nonan-1-amine
CID 115859033
N-[(5-methylpyrazin-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148936
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 105148959

Frequently Asked Questions

What is the IUPAC name of N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine (CID 79965935) is N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1C(NCC)C1CSCCS1.
What is the InChIKey of N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is YWDZCIHXSXVVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S2/c1-3-6-16-7-5-15-13(16)12(14-4-2)11-10-17-8-9-18-11/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine?
N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 285.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79965935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).