N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine

C15H25NS — CID 106009527

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CC(C)(C)CC2C)s1
InChIInChI=1S/C15H25NS/c1-5-12-6-7-13(17-12)10-16-14-9-15(3,4)8-11(14)2/h6-7,11,14,16H,5,8-10H2,1-4H3
InChIKeyQGFSCMTUQGZWGB-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.22
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine

N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106009527) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106009527
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CC(C)(C)CC2C)s1
InChIInChI=1S/C15H25NS/c1-5-12-6-7-13(17-12)10-16-14-9-15(3,4)8-11(14)2/h6-7,11,14,16H,5,8-10H2,1-4H3
InChIKeyQGFSCMTUQGZWGB-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909543
N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 114136811
N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63996436
N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64731685
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106661666
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 94428351
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile
CID 62962759
N-[(5-ethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 106009248
2,5-diethylthiophene
CID 521294
N-[(5-ethylthiophen-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55221859

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine (CID 106009527) is N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine is CCc1ccc(CNC2CC(C)(C)CC2C)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is QGFSCMTUQGZWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-12-6-7-13(17-12)10-16-14-9-15(3,4)8-11(14)2/h6-7,11,14,16H,5,8-10H2,1-4H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106009527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).