3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine

C17H28N2S — CID 64735839

IUPAC3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCc3sccc3C2C)C(N)C1
InChIInChI=1S/C17H28N2S/c1-11-8-12(2)15(16(18)9-11)10-19-6-4-17-14(13(19)3)5-7-20-17/h5,7,11-13,15-16H,4,6,8-10,18H2,1-3H3
InChIKeyMYVNWSPEJJAUHY-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.68
Rot. Bonds2

About 3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine

3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine (PubChem CID 64735839) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
PubChem CID64735839
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN2CCc3sccc3C2C)C(N)C1
InChIInChI=1S/C17H28N2S/c1-11-8-12(2)15(16(18)9-11)10-19-6-4-17-14(13(19)3)5-7-20-17/h5,7,11-13,15-16H,4,6,8-10,18H2,1-3H3
InChIKeyMYVNWSPEJJAUHY-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine (CID 64735839) is 3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine is CC1CC(C)C(CN2CCc3sccc3C2C)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is MYVNWSPEJJAUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-11-8-12(2)15(16(18)9-11)10-19-6-4-17-14(13(19)3)5-7-20-17/h5,7,11-13,15-16H,4,6,8-10,18H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64735839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).