N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine

C13H21NS — CID 81032402

IUPACN-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine
SMILESCNCC1CCC(C)CC1c1ccsc1
InChIInChI=1S/C13H21NS/c1-10-3-4-11(8-14-2)13(7-10)12-5-6-15-9-12/h5-6,9-11,13-14H,3-4,7-8H2,1-2H3
InChIKeyRRRWQQPVRIURSN-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.49
Rot. Bonds3

About N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine

N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine (PubChem CID 81032402) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine
PubChem CID81032402
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine
SMILESCNCC1CCC(C)CC1c1ccsc1
InChIInChI=1S/C13H21NS/c1-10-3-4-11(8-14-2)13(7-10)12-5-6-15-9-12/h5-6,9-11,13-14H,3-4,7-8H2,1-2H3
InChIKeyRRRWQQPVRIURSN-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine
CID 53275665
1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81031868
1-[2-(1-benzothiophen-7-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81148235
1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025836
2-methyl-N-[(2-thiophen-3-ylcyclopropyl)methyl]propan-1-amine
CID 62712093
1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81030835
N-methyl-1-(4-methyl-2-quinolin-6-ylcyclohexyl)methanamine
CID 81222497
3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene
CID 67942354
[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanamine
CID 94556777
2-methyl-N-[(2-thiophen-3-ylcyclopentyl)methyl]propan-2-amine
CID 81027535
2-methyl-N-[(2-thiophen-3-ylcycloheptyl)methyl]propan-2-amine
CID 81025625
1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 82782631

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine (CID 81032402) is N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine is CNCC1CCC(C)CC1c1ccsc1.
What is the InChIKey of N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine?
The InChIKey is RRRWQQPVRIURSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10-3-4-11(8-14-2)13(7-10)12-5-6-15-9-12/h5-6,9-11,13-14H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine?
N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine has a molecular weight of 223.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine is sourced from PubChem (CID 81032402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).