ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine

C13H30N2S — CID 145117685

IUPACethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine
SMILESCC.CNCCC1CCC(CNSC)CC1
InChIInChI=1S/C11H24N2S.C2H6/c1-12-8-7-10-3-5-11(6-4-10)9-13-14-2;1-2/h10-13H,3-9H2,1-2H3;1-2H3
InChIKeyFVKQPBVLNSTICC-UHFFFAOYSA-N
MW246.46 g/mol
LogP3.30
Rot. Bonds6

About ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine

ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine (PubChem CID 145117685) has the molecular formula C13H30N2S and a molecular weight of 246.46 g/mol. Its IUPAC name is ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine
PubChem CID145117685
Molecular FormulaC13H30N2S
Molecular Weight246.46 g/mol
Exact Mass246.21
IUPAC Nameethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine
SMILESCC.CNCCC1CCC(CNSC)CC1
InChIInChI=1S/C11H24N2S.C2H6/c1-12-8-7-10-3-5-11(6-4-10)9-13-14-2;1-2/h10-13H,3-9H2,1-2H3;1-2H3
InChIKeyFVKQPBVLNSTICC-UHFFFAOYSA-N
XLogP3.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-Cyclohexyl-pentyl)-methyl-amine
CID 18790250
[(4-Ethylcyclohexyl)methyl](methyl)amine
CID 20712110
S-[4-(2-fluorocyclohexyl)-6-(methylamino)hexan-3-yl]thiohydroxylamine
CID 137468809
N-[[4-[(3,7-dimethyloctylamino)methyl]cyclohexyl]methyl]-3,7-dimethyloctan-1-amine
CID 115674
N-ethyl-2-(4-methylcyclohexyl)ethanamine
CID 417601
Methyl({[4-(propan-2-yl)cyclohexyl]methyl})amine
CID 20820305
Methyl[2-(4-methylcyclohexyl)ethyl]amine
CID 23395965
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
[4-(Methylaminomethyl)cyclohexyl]methanethiol
CID 57568693
3-[4-[3-(Ethylamino)propyl]cyclohexyl]propan-1-amine
CID 57639084
(2S)-N,2-dimethyl-3-(4-methylcyclohexyl)propan-1-amine
CID 58246663
1-(4-(aminomethyl)cyclohexyl)-N-methylmethanamine
CID 58774837

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine?
The IUPAC name of ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine (CID 145117685) is ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine.
What is the SMILES notation for ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine?
The canonical SMILES for ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine is CC.CNCCC1CCC(CNSC)CC1.
What is the InChIKey of ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine?
The InChIKey is FVKQPBVLNSTICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S.C2H6/c1-12-8-7-10-3-5-11(6-4-10)9-13-14-2;1-2/h10-13H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine?
ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine has a molecular weight of 246.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[4-[(methylsulfanylamino)methyl]cyclohexyl]ethanamine is sourced from PubChem (CID 145117685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).