N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole

C14H30N2S — CID 169244945

IUPACN,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
SMILESCC(C)N1CC2CSCC2C1.CNC(C)(C)C
InChIInChI=1S/C9H17NS.C5H13N/c1-7(2)10-3-8-5-11-6-9(8)4-10;1-5(2,3)6-4/h7-9H,3-6H2,1-2H3;6H,1-4H3
InChIKeyHSYFAJYQSBBCAP-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.69
Rot. Bonds1

About N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole

N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole (PubChem CID 169244945) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole.

Molecular Properties

Compound NameN,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
PubChem CID169244945
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole
SMILESCC(C)N1CC2CSCC2C1.CNC(C)(C)C
InChIInChI=1S/C9H17NS.C5H13N/c1-7(2)10-3-8-5-11-6-9(8)4-10;1-5(2,3)6-4/h7-9H,3-6H2,1-2H3;6H,1-4H3
InChIKeyHSYFAJYQSBBCAP-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
The IUPAC name of N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole (CID 169244945) is N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole.
What is the SMILES notation for N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
The canonical SMILES for N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole is CC(C)N1CC2CSCC2C1.CNC(C)(C)C.
What is the InChIKey of N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
The InChIKey is HSYFAJYQSBBCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS.C5H13N/c1-7(2)10-3-8-5-11-6-9(8)4-10;1-5(2,3)6-4/h7-9H,3-6H2,1-2H3;6H,1-4H3.
What are the key properties of N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole?
N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole has a molecular weight of 258.47 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-2-amine;5-propan-2-yl-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrole is sourced from PubChem (CID 169244945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).