(4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine

C13H25NS — CID 105153747

IUPAC(4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine
SMILESCC1CCC(C(N)C2(C)CCCS2)CC1
InChIInChI=1S/C13H25NS/c1-10-4-6-11(7-5-10)12(14)13(2)8-3-9-15-13/h10-12H,3-9,14H2,1-2H3
InChIKeyPCIUWBICCUKXKZ-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.43
Rot. Bonds2

About (4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine

(4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine (PubChem CID 105153747) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine
PubChem CID105153747
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name(4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine
SMILESCC1CCC(C(N)C2(C)CCCS2)CC1
InChIInChI=1S/C13H25NS/c1-10-4-6-11(7-5-10)12(14)13(2)8-3-9-15-13/h10-12H,3-9,14H2,1-2H3
InChIKeyPCIUWBICCUKXKZ-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105157232
2-cyclopentyl-1-(2-methylthiolan-2-yl)ethanol
CID 105090438
1-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129649
(2-methylthiolan-2-yl)-(oxan-4-yl)methanol
CID 105097535
4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105126897
N-[2-cyclopropyl-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105152948
2-cyclopent-3-en-1-yl-1-(2-methylthiolan-2-yl)ethanamine
CID 164653228
2-amino-1-(2-methylthiolan-2-yl)ethanol
CID 115012704
2-hydroxy-2-(2-methylthiolan-2-yl)acetonitrile
CID 127002714
(2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116291
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990
[2-methyl-1-(2-methylthiolan-2-yl)propyl]hydrazine
CID 105281773

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine?
The IUPAC name of (4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine (CID 105153747) is (4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine.
What is the SMILES notation for (4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine?
The canonical SMILES for (4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine is CC1CCC(C(N)C2(C)CCCS2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine?
The InChIKey is PCIUWBICCUKXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-10-4-6-11(7-5-10)12(14)13(2)8-3-9-15-13/h10-12H,3-9,14H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine?
(4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine has a molecular weight of 227.42 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(2-methylthiolan-2-yl)methanamine is sourced from PubChem (CID 105153747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).