N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

C15H28N4S — CID 106445379

IUPACN-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CCC)C1CSCCN1C
InChIInChI=1S/C15H28N4S/c1-4-6-16-14(13-12-20-11-10-18(13)3)15-17-7-9-19(15)8-5-2/h7,9,13-14,16H,4-6,8,10-12H2,1-3H3
InChIKeySVXHEJZDHHARIZ-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.38
Rot. Bonds7

About N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 106445379) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID106445379
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CCC)C1CSCCN1C
InChIInChI=1S/C15H28N4S/c1-4-6-16-14(13-12-20-11-10-18(13)3)15-17-7-9-19(15)8-5-2/h7,9,13-14,16H,4-6,8,10-12H2,1-3H3
InChIKeySVXHEJZDHHARIZ-UHFFFAOYSA-N
XLogP2.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389
N-[(4-methylthiomorpholin-3-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106445473
(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595608
N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106445421
N-[1,4-dithian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79965935
N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 106445341
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 64984371
N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79962860
N-[oxolan-3-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 65329600
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 115859031

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 106445379) is N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccn1CCC)C1CSCCN1C.
What is the InChIKey of N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is SVXHEJZDHHARIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-4-6-16-14(13-12-20-11-10-18(13)3)15-17-7-9-19(15)8-5-2/h7,9,13-14,16H,4-6,8,10-12H2,1-3H3.
What are the key properties of N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106445379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).