2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine

C10H18N4O2 — CID 106658992

IUPAC2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCn2ccnn2)CO1
InChIInChI=1S/C10H18N4O2/c1-10(2)15-7-9(8-16-10)11-3-5-14-6-4-12-13-14/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyPPSOQZVSJPGCLN-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.02
Rot. Bonds4

About 2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine

2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine (PubChem CID 106658992) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine
PubChem CID106658992
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCn2ccnn2)CO1
InChIInChI=1S/C10H18N4O2/c1-10(2)15-7-9(8-16-10)11-3-5-14-6-4-12-13-14/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyPPSOQZVSJPGCLN-UHFFFAOYSA-N
XLogP0.02
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine
CID 153319100
N-methyl-2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 153625811
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine
CID 156664288
1-Pent-3-ynoxy-3-[2-(triazol-1-yl)ethoxy]propan-2-amine
CID 169964178
2-[1-(Triazol-1-yl)ethyl]morpholine
CID 173053698
N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine
CID 103179432
N-[2-(3-methoxypropoxy)ethyl]-3-(triazol-1-yl)propan-1-amine
CID 103179434
1-methoxy-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 104096698
N-(1-methoxypropan-2-yl)-4-(triazol-1-yl)butan-1-amine
CID 104096733
1-ethoxy-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 104100349
1-methoxy-N-[2-(triazol-1-yl)ethyl]butan-2-amine
CID 104100414
3-methoxy-N-[2-(triazol-1-yl)ethyl]butan-2-amine
CID 104100419

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine (CID 106658992) is 2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine is CC1(C)OCC(NCCn2ccnn2)CO1.
What is the InChIKey of 2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine?
The InChIKey is PPSOQZVSJPGCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2)15-7-9(8-16-10)11-3-5-14-6-4-12-13-14/h4,6,9,11H,3,5,7-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine?
2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine has a molecular weight of 226.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 106658992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).