N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine

C12H25NS — CID 64627479

IUPACN-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1SC
InChIInChI=1S/C12H25NS/c1-5-13-11-7-6-10(9(2)3)8-12(11)14-4/h9-13H,5-8H2,1-4H3
InChIKeyZBKCEDXCXFXIOZ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.15
Rot. Bonds4

About N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine

N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64627479) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID64627479
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1SC
InChIInChI=1S/C12H25NS/c1-5-13-11-7-6-10(9(2)3)8-12(11)14-4/h9-13H,5-8H2,1-4H3
InChIKeyZBKCEDXCXFXIOZ-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate
CID 64613535
N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine
CID 64626260
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64632318
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine
CID 64904528
N-ethyl-2-(2-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 55186543
N-ethyl-4-propan-2-yl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexan-1-amine
CID 116616694
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
CID 63468159
2-cyclopentylsulfonyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64674704
N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64659603
N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106454513
N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine (CID 64627479) is N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1SC.
What is the InChIKey of N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is ZBKCEDXCXFXIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-13-11-7-6-10(9(2)3)8-12(11)14-4/h9-13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64627479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).