N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine

C14H23NS — CID 43346127

IUPACN-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
SMILESCCc1ccc(CNC2CCCCCC2)s1
InChIInChI=1S/C14H23NS/c1-2-13-9-10-14(16-13)11-15-12-7-5-3-4-6-8-12/h9-10,12,15H,2-8,11H2,1H3
InChIKeyDMOMKCZDPSTPOD-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.12
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine

N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine (PubChem CID 43346127) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
PubChem CID43346127
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
SMILESCCc1ccc(CNC2CCCCCC2)s1
InChIInChI=1S/C14H23NS/c1-2-13-9-10-14(16-13)11-15-12-7-5-3-4-6-8-12/h9-10,12,15H,2-8,11H2,1H3
InChIKeyDMOMKCZDPSTPOD-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methiopropamine
CID 436156
Methiopropamine (N-methyl-1-(thiophen-2-yl)propan-2-amine)
CID 458582
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
1-(2-Thienyl)-1-aminoethane
CID 238233
N-Methyl-1-(thiophen-2-yl)methanamine
CID 436153
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
2-(Thiophen-2-yl)pyrrolidine
CID 339554
N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine (CID 43346127) is N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine is CCc1ccc(CNC2CCCCCC2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine?
The InChIKey is DMOMKCZDPSTPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-13-9-10-14(16-13)11-15-12-7-5-3-4-6-8-12/h9-10,12,15H,2-8,11H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine?
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine has a molecular weight of 237.41 g/mol, XLogP of 4.12, 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]cycloheptanamine is sourced from PubChem (CID 43346127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).