1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

C14H27NS — CID 80723031

IUPAC1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCC1CCCC(CNCC2(C)CCCS2)C1
InChIInChI=1S/C14H27NS/c1-12-5-3-6-13(9-12)10-15-11-14(2)7-4-8-16-14/h12-13,15H,3-11H2,1-2H3
InChIKeyRWQJNKFLMFZUEZ-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds4

About 1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (PubChem CID 80723031) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
PubChem CID80723031
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCC1CCCC(CNCC2(C)CCCS2)C1
InChIInChI=1S/C14H27NS/c1-12-5-3-6-13(9-12)10-15-11-14(2)7-4-8-16-14/h12-13,15H,3-11H2,1-2H3
InChIKeyRWQJNKFLMFZUEZ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclohexyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103883987
N-[(2-methylthiolan-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 80726376
1-(1-methylpiperidin-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80723156
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 80721571
2,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclohexan-1-amine
CID 80722862
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
1-(4-methylcyclohexyl)oxy-3-[(2-methylthiolan-2-yl)methylamino]propan-2-ol
CID 80722663
N-[(2-methylthiolan-2-yl)methyl]decan-1-amine
CID 80721703
4-[(2-methylthiolan-2-yl)methylamino]butanoic acid
CID 80721729
methyl 4-[[(3-methylcyclohexyl)methylamino]methyl]oxane-4-carboxylate
CID 86804472
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]acetamide
CID 80736660

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (CID 80723031) is 1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is CC1CCCC(CNCC2(C)CCCS2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The InChIKey is RWQJNKFLMFZUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-12-5-3-6-13(9-12)10-15-11-14(2)7-4-8-16-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine has a molecular weight of 241.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is sourced from PubChem (CID 80723031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).