1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine

C14H23NS — CID 65399489

IUPAC1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
SMILESCNC(c1csc(C)c1)C1CCCCCC1
InChIInChI=1S/C14H23NS/c1-11-9-13(10-16-11)14(15-2)12-7-5-3-4-6-8-12/h9-10,12,14-15H,3-8H2,1-2H3
InChIKeyDPMYASGLBBSUDD-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.29
Rot. Bonds3

About 1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine

1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine (PubChem CID 65399489) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
PubChem CID65399489
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
SMILESCNC(c1csc(C)c1)C1CCCCCC1
InChIInChI=1S/C14H23NS/c1-11-9-13(10-16-11)14(15-2)12-7-5-3-4-6-8-12/h9-10,12,14-15H,3-8H2,1-2H3
InChIKeyDPMYASGLBBSUDD-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine (CID 65399489) is 1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine is CNC(c1csc(C)c1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The InChIKey is DPMYASGLBBSUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11-9-13(10-16-11)14(15-2)12-7-5-3-4-6-8-12/h9-10,12,14-15H,3-8H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine has a molecular weight of 237.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 65399489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).