3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine

C16H23N3S — CID 43775441

IUPAC3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine
SMILESCC1CCCC(NC(c2cccs2)c2nccn2C)C1
InChIInChI=1S/C16H23N3S/c1-12-5-3-6-13(11-12)18-15(14-7-4-10-20-14)16-17-8-9-19(16)2/h4,7-10,12-13,15,18H,3,5-6,11H2,1-2H3
InChIKeyUYJZOFYWCXBMAS-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.74
Rot. Bonds4

About 3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine

3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine (PubChem CID 43775441) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine
PubChem CID43775441
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine
SMILESCC1CCCC(NC(c2cccs2)c2nccn2C)C1
InChIInChI=1S/C16H23N3S/c1-12-5-3-6-13(11-12)18-15(14-7-4-10-20-14)16-17-8-9-19(16)2/h4,7-10,12-13,15,18H,3,5-6,11H2,1-2H3
InChIKeyUYJZOFYWCXBMAS-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224426
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]oxolan-3-amine
CID 82725457
N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 43775172
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64733837
N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 103917656
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
CID 43767058
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
CID 103917506

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine (CID 43775441) is 3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine is CC1CCCC(NC(c2cccs2)c2nccn2C)C1.
What is the InChIKey of 3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine?
The InChIKey is UYJZOFYWCXBMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12-5-3-6-13(11-12)18-15(14-7-4-10-20-14)16-17-8-9-19(16)2/h4,7-10,12-13,15,18H,3,5-6,11H2,1-2H3.
What are the key properties of 3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine?
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine is sourced from PubChem (CID 43775441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).