N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C15H27N3S — CID 65144641

IUPACN-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCCC1)c1nccn1C
InChIInChI=1S/C15H27N3S/c1-3-9-16-14(15-17-10-11-18(15)2)12-19-13-7-5-4-6-8-13/h10-11,13-14,16H,3-9,12H2,1-2H3
InChIKeyFPGPDGUQFWXNNO-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.53
Rot. Bonds7

About N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine

N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 65144641) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID65144641
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCCC1)c1nccn1C
InChIInChI=1S/C15H27N3S/c1-3-9-16-14(15-17-10-11-18(15)2)12-19-13-7-5-4-6-8-13/h10-11,13-14,16H,3-9,12H2,1-2H3
InChIKeyFPGPDGUQFWXNNO-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
CID 79760472
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370
1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115860071
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[1-(1-methylimidazol-2-yl)-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066993
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 65144255

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 65144641) is N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(CSC1CCCCC1)c1nccn1C.
What is the InChIKey of N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is FPGPDGUQFWXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-3-9-16-14(15-17-10-11-18(15)2)12-19-13-7-5-4-6-8-13/h10-11,13-14,16H,3-9,12H2,1-2H3.
What are the key properties of N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65144641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).