4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine

C14H30N2S — CID 20760591

IUPAC4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CSCC(C)(C)N(C)C)CC1
InChIInChI=1S/C14H30N2S/c1-14(2,16(4)5)11-17-10-12-6-8-13(15-3)9-7-12/h12-13,15H,6-11H2,1-5H3
InChIKeyBTEIAHJCSAFEJT-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.84
Rot. Bonds6

About 4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine

4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine (PubChem CID 20760591) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine
PubChem CID20760591
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CSCC(C)(C)N(C)C)CC1
InChIInChI=1S/C14H30N2S/c1-14(2,16(4)5)11-17-10-12-6-8-13(15-3)9-7-12/h12-13,15H,6-11H2,1-5H3
InChIKeyBTEIAHJCSAFEJT-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104080076
N-(4-ethylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844764
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844765
Carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)
CID 20760590
Carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+)
CID 20760594
N-(4-methylcyclohexyl)thian-4-amine
CID 43394875
Carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium
CID 59985892
4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 60663692
N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 118585204
N-[1-[4-(trimethyl-lambda4-sulfanyl)cyclohexyl]ethyl]propan-2-amine
CID 123593669
N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine
CID 123861964
1-(tert-butylsulfanylmethyl)-N-methylcyclohexan-1-amine
CID 126634104

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine (CID 20760591) is 4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine is CNC1CCC(CSCC(C)(C)N(C)C)CC1.
What is the InChIKey of 4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine?
The InChIKey is BTEIAHJCSAFEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-14(2,16(4)5)11-17-10-12-6-8-13(15-3)9-7-12/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine?
4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine has a molecular weight of 258.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 20760591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).