N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

C19H33NS — CID 81033829

IUPACN-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccc(CC2CC(C)CCC2CNC(C)(C)C)s1
InChIInChI=1S/C19H33NS/c1-6-17-9-10-18(21-17)12-16-11-14(2)7-8-15(16)13-20-19(3,4)5/h9-10,14-16,20H,6-8,11-13H2,1-5H3
InChIKeyZNPLRZRSJPPAFZ-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.29
Rot. Bonds5

About N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81033829) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81033829
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC NameN-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccc(CC2CC(C)CCC2CNC(C)(C)C)s1
InChIInChI=1S/C19H33NS/c1-6-17-9-10-18(21-17)12-16-11-14(2)7-8-15(16)13-20-19(3,4)5/h9-10,14-16,20H,6-8,11-13H2,1-5H3
InChIKeyZNPLRZRSJPPAFZ-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
N-[[2-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022120
2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403838
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016974
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 64907667
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81035109
N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81034592
2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81025989
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033831
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]propan-2-amine
CID 81031821
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81033829) is N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is CCc1ccc(CC2CC(C)CCC2CNC(C)(C)C)s1.
What is the InChIKey of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZNPLRZRSJPPAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-6-17-9-10-18(21-17)12-16-11-14(2)7-8-15(16)13-20-19(3,4)5/h9-10,14-16,20H,6-8,11-13H2,1-5H3.
What are the key properties of N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.55 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81033829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).