cycloheptyl-(5-ethylthiophen-2-yl)methanamine

C14H23NS — CID 62587234

IUPACcycloheptyl-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)C2CCCCCC2)s1
InChIInChI=1S/C14H23NS/c1-2-12-9-10-13(16-12)14(15)11-7-5-3-4-6-8-11/h9-11,14H,2-8,15H2,1H3
InChIKeyVNMFZBKDEZHSCN-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.28
Rot. Bonds3

About cycloheptyl-(5-ethylthiophen-2-yl)methanamine

cycloheptyl-(5-ethylthiophen-2-yl)methanamine (PubChem CID 62587234) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is cycloheptyl-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Namecycloheptyl-(5-ethylthiophen-2-yl)methanamine
PubChem CID62587234
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Namecycloheptyl-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)C2CCCCCC2)s1
InChIInChI=1S/C14H23NS/c1-2-12-9-10-13(16-12)14(15)11-7-5-3-4-6-8-11/h9-11,14H,2-8,15H2,1H3
InChIKeyVNMFZBKDEZHSCN-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopentyl-(5-ethylthiophen-2-yl)methanamine;hydrochloride
CID 171211749
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
(3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine
CID 104989005
2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
CID 61082733
2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene
CID 63431273
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
CID 171281355
2-(cycloheptylamino)-2-(5-ethylthiophen-2-yl)acetamide
CID 62345928
(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
(5-ethylthiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105018081
1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
[(5-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313487

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of cycloheptyl-(5-ethylthiophen-2-yl)methanamine (CID 62587234) is cycloheptyl-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for cycloheptyl-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for cycloheptyl-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)C2CCCCCC2)s1.
What is the InChIKey of cycloheptyl-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is VNMFZBKDEZHSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-12-9-10-13(16-12)14(15)11-7-5-3-4-6-8-11/h9-11,14H,2-8,15H2,1H3.
What are the key properties of cycloheptyl-(5-ethylthiophen-2-yl)methanamine?
cycloheptyl-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 237.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 62587234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).