5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine

C18H34N2S — CID 106251174

IUPAC5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCC2(CC(C)C)CCCC2)SC1
InChIInChI=1S/C18H34N2S/c1-5-17(6-2)12-19-16(21-14-17)20-13-18(11-15(3)4)9-7-8-10-18/h15H,5-14H2,1-4H3,(H,19,20)
InChIKeyPNNGFWPTAYUWRJ-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.09
Rot. Bonds6

About 5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106251174) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is 5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106251174
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC Name5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCC2(CC(C)C)CCCC2)SC1
InChIInChI=1S/C18H34N2S/c1-5-17(6-2)12-19-16(21-14-17)20-13-18(11-15(3)4)9-7-8-10-18/h15H,5-14H2,1-4H3,(H,19,20)
InChIKeyPNNGFWPTAYUWRJ-UHFFFAOYSA-N
XLogP5.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 106251174) is 5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCC2(CC(C)C)CCCC2)SC1.
What is the InChIKey of 5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is PNNGFWPTAYUWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-5-17(6-2)12-19-16(21-14-17)20-13-18(11-15(3)4)9-7-8-10-18/h15H,5-14H2,1-4H3,(H,19,20).
What are the key properties of 5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 310.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106251174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).