3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine

C14H23NS — CID 64503209

IUPAC3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine
SMILESCCc1ccc(CC2CCCCC(N)C2)s1
InChIInChI=1S/C14H23NS/c1-2-13-7-8-14(16-13)10-11-5-3-4-6-12(15)9-11/h7-8,11-12H,2-6,9-10,15H2,1H3
InChIKeyPHTNJNMFNUJWGW-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.76
Rot. Bonds3

About 3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine

3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine (PubChem CID 64503209) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine
PubChem CID64503209
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine
SMILESCCc1ccc(CC2CCCCC(N)C2)s1
InChIInChI=1S/C14H23NS/c1-2-13-7-8-14(16-13)10-11-5-3-4-6-12(15)9-11/h7-8,11-12H,2-6,9-10,15H2,1H3
InChIKeyPHTNJNMFNUJWGW-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 55188245
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 64907667
2,5-diethylthiophene
CID 521294
[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011445
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81027975
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014857
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 81034587
2-bromo-5-[(3-chlorocycloheptyl)methyl]thiophene
CID 64509536

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine (CID 64503209) is 3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine is CCc1ccc(CC2CCCCC(N)C2)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine?
The InChIKey is PHTNJNMFNUJWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-13-7-8-14(16-13)10-11-5-3-4-6-12(15)9-11/h7-8,11-12H,2-6,9-10,15H2,1H3.
What are the key properties of 3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine?
3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 64503209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).