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4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide

C16H26N2OS — CID 102629053

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccsc1CNC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C16H26N2OS/c1-10-7-8-20-14(10)9-18-15(19)12-5-6-13(17)11(2)16(12,3)4/h7-8,11-13H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyODHQRFUZLAGACI-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.07
Rot. Bonds3

About 4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 102629053) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID102629053
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccsc1CNC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C16H26N2OS/c1-10-7-8-20-14(10)9-18-15(19)12-5-6-13(17)11(2)16(12,3)4/h7-8,11-13H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyODHQRFUZLAGACI-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide (CID 102629053) is 4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide is Cc1ccsc1CNC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ODHQRFUZLAGACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-10-7-8-20-14(10)9-18-15(19)12-5-6-13(17)11(2)16(12,3)4/h7-8,11-13H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 102629053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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