5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine

C17H29NS — CID 65102404

IUPAC5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
SMILESCCCNC1CC(C)CCC1C(C)(C)c1ccsc1
InChIInChI=1S/C17H29NS/c1-5-9-18-16-11-13(2)6-7-15(16)17(3,4)14-8-10-19-12-14/h8,10,12-13,15-16,18H,5-7,9,11H2,1-4H3
InChIKeyVZLXXKIVHSVAIQ-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.83
Rot. Bonds5

About 5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine

5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine (PubChem CID 65102404) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
PubChem CID65102404
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
SMILESCCCNC1CC(C)CCC1C(C)(C)c1ccsc1
InChIInChI=1S/C17H29NS/c1-5-9-18-16-11-13(2)6-7-15(16)17(3,4)14-8-10-19-12-14/h8,10,12-13,15-16,18H,5-7,9,11H2,1-4H3
InChIKeyVZLXXKIVHSVAIQ-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine (CID 65102404) is 5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine is CCCNC1CC(C)CCC1C(C)(C)c1ccsc1.
What is the InChIKey of 5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine?
The InChIKey is VZLXXKIVHSVAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-9-18-16-11-13(2)6-7-15(16)17(3,4)14-8-10-19-12-14/h8,10,12-13,15-16,18H,5-7,9,11H2,1-4H3.
What are the key properties of 5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine?
5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 65102404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).