N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine

C16H27N3S — CID 104755528

IUPACN-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1nccc(C)n1)C1CCCCC1
InChIInChI=1S/C16H27N3S/c1-3-10-17-15(14-7-5-4-6-8-14)12-20-16-18-11-9-13(2)19-16/h9,11,14-15,17H,3-8,10,12H2,1-2H3
InChIKeyKOUBZRUAQMPRAU-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.83
Rot. Bonds7

About N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine

N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine (PubChem CID 104755528) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
PubChem CID104755528
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1nccc(C)n1)C1CCCCC1
InChIInChI=1S/C16H27N3S/c1-3-10-17-15(14-7-5-4-6-8-14)12-20-16-18-11-9-13(2)19-16/h9,11,14-15,17H,3-8,10,12H2,1-2H3
InChIKeyKOUBZRUAQMPRAU-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-cyclopentyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755524
1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755526
N-[1-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 104755425
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
2-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136913802
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
CID 104755834
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
CID 104755547
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 104755844
N-[1-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 113449496
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115309530

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine (CID 104755528) is N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine is CCCNC(CSc1nccc(C)n1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine?
The InChIKey is KOUBZRUAQMPRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-10-17-15(14-7-5-4-6-8-14)12-20-16-18-11-9-13(2)19-16/h9,11,14-15,17H,3-8,10,12H2,1-2H3.
What are the key properties of N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine?
N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 104755528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).