N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine

C15H25NOS — CID 64609685

IUPACN,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1SCc1ccco1
InChIInChI=1S/C15H25NOS/c1-3-12-7-8-14(16-4-2)15(10-12)18-11-13-6-5-9-17-13/h5-6,9,12,14-16H,3-4,7-8,10-11H2,1-2H3
InChIKeyKODQYXLGGOGHEX-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.07
Rot. Bonds6

About N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine

N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine (PubChem CID 64609685) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
PubChem CID64609685
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1SCc1ccco1
InChIInChI=1S/C15H25NOS/c1-3-12-7-8-14(16-4-2)15(10-12)18-11-13-6-5-9-17-13/h5-6,9,12,14-16H,3-4,7-8,10-11H2,1-2H3
InChIKeyKODQYXLGGOGHEX-UHFFFAOYSA-N
XLogP4.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

N-ethyl-3-(furan-2-ylmethylsulfanyl)oxan-4-amine
CID 64609908
4-ethyl-2-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxylic acid
CID 63098068
N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64609900
N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634391
2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
CID 64609500
2-(furan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64610724
N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
CID 64620754
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
4-tert-butyl-N-ethyl-2-(furan-2-ylmethyl)cyclohexan-1-amine
CID 63401760
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
2-(1H-benzimidazol-2-ylsulfanyl)-N,4-diethylcyclohexan-1-amine
CID 64621304
2-(furan-2-ylmethylsulfanyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735769

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine (CID 64609685) is N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine is CCNC1CCC(CC)CC1SCc1ccco1.
What is the InChIKey of N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine?
The InChIKey is KODQYXLGGOGHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-12-7-8-14(16-4-2)15(10-12)18-11-13-6-5-9-17-13/h5-6,9,12,14-16H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine?
N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(furan-2-ylmethylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64609685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).