2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine

C10H21NS2 — CID 115386714

IUPAC2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine
SMILESCC1SCCSC1C(N)C(C)(C)C
InChIInChI=1S/C10H21NS2/c1-7-8(13-6-5-12-7)9(11)10(2,3)4/h7-9H,5-6,11H2,1-4H3
InChIKeyUHLQNYQFEBWRNT-UHFFFAOYSA-N
MW219.42 g/mol
LogP2.60
Rot. Bonds1

About 2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine

2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine (PubChem CID 115386714) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine
PubChem CID115386714
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Name2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine
SMILESCC1SCCSC1C(N)C(C)(C)C
InChIInChI=1S/C10H21NS2/c1-7-8(13-6-5-12-7)9(11)10(2,3)4/h7-9H,5-6,11H2,1-4H3
InChIKeyUHLQNYQFEBWRNT-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine (CID 115386714) is 2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine is CC1SCCSC1C(N)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine?
The InChIKey is UHLQNYQFEBWRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-7-8(13-6-5-12-7)9(11)10(2,3)4/h7-9H,5-6,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine?
2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine has a molecular weight of 219.42 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methyl-1,4-dithian-2-yl)propan-1-amine is sourced from PubChem (CID 115386714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).