ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine

C14H31NS — CID 142409173

IUPACethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine
SMILESC=S(=C)(C)CCN(C)C1CCCCC1.CC
InChIInChI=1S/C12H25NS.C2H6/c1-13(10-11-14(2,3)4)12-8-6-5-7-9-12;1-2/h12H,2-3,5-11H2,1,4H3;1-2H3
InChIKeyLBSFDWAIVMQLOG-UHFFFAOYSA-N
MW245.48 g/mol
LogP3.58
Rot. Bonds4

About ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine

ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine (PubChem CID 142409173) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine.

Molecular Properties

Compound Nameethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine
PubChem CID142409173
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Nameethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine
SMILESC=S(=C)(C)CCN(C)C1CCCCC1.CC
InChIInChI=1S/C12H25NS.C2H6/c1-13(10-11-14(2,3)4)12-8-6-5-7-9-12;1-2/h12H,2-3,5-11H2,1,4H3;1-2H3
InChIKeyLBSFDWAIVMQLOG-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 178121519
N-cyclohexyl-N-methyl-N',N'-dipropylethane-1,2-diamine
CID 54810081
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425
2-[cyclohexyl(methyl)amino]ethanol;hydrochloride
CID 69010720
3-[cyclohexyl(methyl)amino]propane-1-sulfonate
CID 153294171
N-(5-bromopentyl)-N-methylcyclohexanamine
CID 14089133
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N-[2-[bis(methylamino)silyl]ethyl]-N-methylcyclohexanamine
CID 154092070
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
N-[bis(prop-2-enyl)silylmethyl]-N-methylcyclohexanamine
CID 174048137
5-[cyclopentyl(methyl)amino]pentan-1-ol
CID 62227665

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine?
The IUPAC name of ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine (CID 142409173) is ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine.
What is the SMILES notation for ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine?
The canonical SMILES for ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine is C=S(=C)(C)CCN(C)C1CCCCC1.CC.
What is the InChIKey of ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine?
The InChIKey is LBSFDWAIVMQLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS.C2H6/c1-13(10-11-14(2,3)4)12-8-6-5-7-9-12;1-2/h12H,2-3,5-11H2,1,4H3;1-2H3.
What are the key properties of ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine?
ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine has a molecular weight of 245.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[2-[methyl(dimethylidene)-λ6-sulfanyl]ethyl]cyclohexanamine is sourced from PubChem (CID 142409173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).