N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine

C18H23NS — CID 67697445

IUPACN-cycloheptyl-N-methyl-3-phenylthiophen-2-amine
SMILESCN(c1sccc1-c1ccccc1)C1CCCCCC1
InChIInChI=1S/C18H23NS/c1-19(16-11-7-2-3-8-12-16)18-17(13-14-20-18)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,2-3,7-8,11-12H2,1H3
InChIKeyKDNHPOOISNVCIV-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.57
Rot. Bonds3

About N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine

N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine (PubChem CID 67697445) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-3-phenylthiophen-2-amine
PubChem CID67697445
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-cycloheptyl-N-methyl-3-phenylthiophen-2-amine
SMILESCN(c1sccc1-c1ccccc1)C1CCCCCC1
InChIInChI=1S/C18H23NS/c1-19(16-11-7-2-3-8-12-16)18-17(13-14-20-18)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,2-3,7-8,11-12H2,1H3
InChIKeyKDNHPOOISNVCIV-UHFFFAOYSA-N
XLogP5.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine?
The IUPAC name of N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine (CID 67697445) is N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine.
What is the SMILES notation for N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine?
The canonical SMILES for N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine is CN(c1sccc1-c1ccccc1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine?
The InChIKey is KDNHPOOISNVCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-19(16-11-7-2-3-8-12-16)18-17(13-14-20-18)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,2-3,7-8,11-12H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine?
N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine has a molecular weight of 285.46 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-3-phenylthiophen-2-amine is sourced from PubChem (CID 67697445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).