N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine

C15H25NOS — CID 107784243

IUPACN-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1Sc1ccoc1C
InChIInChI=1S/C15H25NOS/c1-5-16-12-6-8-15(3,4)10-14(12)18-13-7-9-17-11(13)2/h7,9,12,14,16H,5-6,8,10H2,1-4H3
InChIKeyZUBBNRKKYCPCHL-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.24
Rot. Bonds4

About N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine

N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine (PubChem CID 107784243) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine
PubChem CID107784243
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1Sc1ccoc1C
InChIInChI=1S/C15H25NOS/c1-5-16-12-6-8-15(3,4)10-14(12)18-13-7-9-17-11(13)2/h7,9,12,14,16H,5-6,8,10H2,1-4H3
InChIKeyZUBBNRKKYCPCHL-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784168
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
CID 107784224
N-ethyl-2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784132
N-ethyl-4,4-dimethyl-2-(4-propan-2-ylphenyl)sulfanylcyclohexan-1-amine
CID 64622047
N-ethyl-2-(furan-2-ylmethylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64609900
N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine
CID 64647668
N-ethyl-2-(4-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
CID 64621898
1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile
CID 114000924
4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 114001243
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 64648078
N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
CID 64619900
2-(2-bromophenyl)sulfanyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64614754

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine?
The IUPAC name of N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine (CID 107784243) is N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1Sc1ccoc1C.
What is the InChIKey of N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine?
The InChIKey is ZUBBNRKKYCPCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-16-12-6-8-15(3,4)10-14(12)18-13-7-9-17-11(13)2/h7,9,12,14,16H,5-6,8,10H2,1-4H3.
What are the key properties of N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine?
N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 107784243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).