N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine

C16H27NS — CID 107178071

IUPACN-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1sc(C)cc1C)C1CCCC1(C)C
InChIInChI=1S/C16H27NS/c1-6-17-14(13-8-7-9-16(13,4)5)15-11(2)10-12(3)18-15/h10,13-14,17H,6-9H2,1-5H3
InChIKeyXVRGTBZGKGEIGA-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.84
Rot. Bonds4

About N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine

N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine (PubChem CID 107178071) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
PubChem CID107178071
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1sc(C)cc1C)C1CCCC1(C)C
InChIInChI=1S/C16H27NS/c1-6-17-14(13-8-7-9-16(13,4)5)15-11(2)10-12(3)18-15/h10,13-14,17H,6-9H2,1-5H3
InChIKeyXVRGTBZGKGEIGA-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107178074
N-[(2,2-dimethylcyclopentyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 107177420
N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177972
N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157381
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
N-[(2,2-dimethylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107177896
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107177371
N-[(2,2-dimethylcyclopentyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 107177676
N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107177546
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177443
3-bromo-2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-methylthiophene
CID 107182444

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine (CID 107178071) is N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine is CCNC(c1sc(C)cc1C)C1CCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is XVRGTBZGKGEIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-6-17-14(13-8-7-9-16(13,4)5)15-11(2)10-12(3)18-15/h10,13-14,17H,6-9H2,1-5H3.
What are the key properties of N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine?
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 107178071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).