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

C17H29NS — CID 107178074

IUPACN-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C1CCCC1(C)C
InChIInChI=1S/C17H29NS/c1-6-10-18-15(14-8-7-9-17(14,4)5)16-12(2)11-13(3)19-16/h11,14-15,18H,6-10H2,1-5H3
InChIKeyMDPGFGRFIMMHQK-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.23
Rot. Bonds5

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

N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 107178074) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID107178074
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C1CCCC1(C)C
InChIInChI=1S/C17H29NS/c1-6-10-18-15(14-8-7-9-17(14,4)5)16-12(2)11-13(3)19-16/h11,14-15,18H,6-10H2,1-5H3
InChIKeyMDPGFGRFIMMHQK-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107178071
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-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155915
N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001275
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106892800
N-[(2,2-dimethylcyclopentyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 107177420
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 107177570
N-[(4-bromo-2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
CID 107177844
N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825356
N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177972
N-[(4-bromophenyl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107177481

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (CID 107178074) is N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sc(C)cc1C)C1CCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is MDPGFGRFIMMHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-6-10-18-15(14-8-7-9-17(14,4)5)16-12(2)11-13(3)19-16/h11,14-15,18H,6-10H2,1-5H3.
What are the key properties of N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.23, 5 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]propan-1-amine is sourced from PubChem (CID 107178074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).