N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine

C14H29NOS2 — CID 103346362

IUPACN-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)C1CSC(C)C(C)S1
InChIInChI=1S/C14H29NOS2/c1-6-7-15-13(8-16-10(2)3)14-9-17-11(4)12(5)18-14/h10-15H,6-9H2,1-5H3
InChIKeyXTQWXCWXRVLJHW-UHFFFAOYSA-N
MW291.53 g/mol
LogP3.41
Rot. Bonds7

About N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine

N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine (PubChem CID 103346362) has the molecular formula C14H29NOS2 and a molecular weight of 291.53 g/mol. Its IUPAC name is N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
PubChem CID103346362
Molecular FormulaC14H29NOS2
Molecular Weight291.53 g/mol
Exact Mass291.17
IUPAC NameN-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)C1CSC(C)C(C)S1
InChIInChI=1S/C14H29NOS2/c1-6-7-15-13(8-16-10(2)3)14-9-17-11(4)12(5)18-14/h10-15H,6-9H2,1-5H3
InChIKeyXTQWXCWXRVLJHW-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-methoxyethyl]propan-1-amine
CID 103346440
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxy-N-ethylethanamine
CID 103346227
N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575417
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 103346410
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 103345778
N-[2-(3-chloro-4-pyridinyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 103346402
[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-ethoxyethyl]hydrazine
CID 103347217
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 103346152
N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013507
4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 103346418
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 103346465

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine (CID 103346362) is N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)C)C1CSC(C)C(C)S1.
What is the InChIKey of N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine?
The InChIKey is XTQWXCWXRVLJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS2/c1-6-7-15-13(8-16-10(2)3)14-9-17-11(4)12(5)18-14/h10-15H,6-9H2,1-5H3.
What are the key properties of N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine?
N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine has a molecular weight of 291.53 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-propan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 103346362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).