N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine

C15H25NOS — CID 64609900

IUPACN-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1SCc1ccco1
InChIInChI=1S/C15H25NOS/c1-4-16-13-7-8-15(2,3)10-14(13)18-11-12-6-5-9-17-12/h5-6,9,13-14,16H,4,7-8,10-11H2,1-3H3
InChIKeyPMQYXWVSTSMPBJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.07
Rot. Bonds5

About N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine

N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 64609900) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID64609900
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1SCc1ccco1
InChIInChI=1S/C15H25NOS/c1-4-16-13-7-8-15(2,3)10-14(13)18-11-12-6-5-9-17-12/h5-6,9,13-14,16H,4,7-8,10-11H2,1-3H3
InChIKeyPMQYXWVSTSMPBJ-UHFFFAOYSA-N
XLogP4.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine (CID 64609900) is N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1SCc1ccco1.
What is the InChIKey of N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is PMQYXWVSTSMPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-16-13-7-8-15(2,3)10-14(13)18-11-12-6-5-9-17-12/h5-6,9,13-14,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine?
N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64609900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).