N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine

C16H26N2S — CID 102925905

IUPACN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine
SMILESCc1cc(C)nc(SCCNC2CCCCC2C)c1
InChIInChI=1S/C16H26N2S/c1-12-10-14(3)18-16(11-12)19-9-8-17-15-7-5-4-6-13(15)2/h10-11,13,15,17H,4-9H2,1-3H3
InChIKeyJVEWWSSDAZXHRT-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.96
Rot. Bonds5

About N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine

N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine (PubChem CID 102925905) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine
PubChem CID102925905
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine
SMILESCc1cc(C)nc(SCCNC2CCCCC2C)c1
InChIInChI=1S/C16H26N2S/c1-12-10-14(3)18-16(11-12)19-9-8-17-15-7-5-4-6-13(15)2/h10-11,13,15,17H,4-9H2,1-3H3
InChIKeyJVEWWSSDAZXHRT-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine (CID 102925905) is N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine is Cc1cc(C)nc(SCCNC2CCCCC2C)c1.
What is the InChIKey of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is JVEWWSSDAZXHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-10-14(3)18-16(11-12)19-9-8-17-15-7-5-4-6-13(15)2/h10-11,13,15,17H,4-9H2,1-3H3.
What are the key properties of N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine?
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 278.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 102925905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).