N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine

C15H24N2S — CID 64648516

IUPACN,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Sc1ccccn1
InChIInChI=1S/C15H24N2S/c1-3-12-8-9-13(16-4-2)14(11-12)18-15-7-5-6-10-17-15/h5-7,10,12-14,16H,3-4,8-9,11H2,1-2H3
InChIKeyLJLAHWHNMXLJOE-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.73
Rot. Bonds5

About N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine

N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine (PubChem CID 64648516) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
PubChem CID64648516
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Sc1ccccn1
InChIInChI=1S/C15H24N2S/c1-3-12-8-9-13(16-4-2)14(11-12)18-15-7-5-6-10-17-15/h5-7,10,12-14,16H,3-4,8-9,11H2,1-2H3
InChIKeyLJLAHWHNMXLJOE-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64650286
N-ethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64649496
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
CID 64631654
N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
CID 64620754
N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 64634854
4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627044
2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
CID 64621304
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 64629453
4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634391
N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
CID 64609685
N-ethyl-4-(2-methylbutan-2-yl)-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627642

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine (CID 64648516) is N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine is CCNC1CCC(CC)CC1Sc1ccccn1.
What is the InChIKey of N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine?
The InChIKey is LJLAHWHNMXLJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-12-8-9-13(16-4-2)14(11-12)18-15-7-5-6-10-17-15/h5-7,10,12-14,16H,3-4,8-9,11H2,1-2H3.
What are the key properties of N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine?
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64648516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).