N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine

C18H31NS — CID 107177546

IUPACN-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)sc1C)C1CCCCC1(C)C
InChIInChI=1S/C18H31NS/c1-6-11-19-17(15-12-13(2)20-14(15)3)16-9-7-8-10-18(16,4)5/h12,16-17,19H,6-11H2,1-5H3
InChIKeyLCLKHYSIGRHUFB-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.62
Rot. Bonds5

About N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine

N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 107177546) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
PubChem CID107177546
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)sc1C)C1CCCCC1(C)C
InChIInChI=1S/C18H31NS/c1-6-11-19-17(15-12-13(2)20-14(15)3)16-9-7-8-10-18(16,4)5/h12,16-17,19H,6-11H2,1-5H3
InChIKeyLCLKHYSIGRHUFB-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopentyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 107177420
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107178074
N-[(4-bromophenyl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107177481
N-[(2,5-dimethylthiophen-3-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63010878
N-[(4-bromo-2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
CID 107177844
N-[(2,2-dimethylcyclopentyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 107177676
N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 107187920
2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine
CID 83154785
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107178071
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107188801

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine (CID 107177546) is N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)sc1C)C1CCCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is LCLKHYSIGRHUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-6-11-19-17(15-12-13(2)20-14(15)3)16-9-7-8-10-18(16,4)5/h12,16-17,19H,6-11H2,1-5H3.
What are the key properties of N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine?
N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107177546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).