N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

C16H30N4O — CID 105038829

IUPACN-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1C(C)OC(C)C1C
InChIInChI=1S/C16H30N4O/c1-6-8-17-16(14-10-18-19-20(14)9-7-2)15-11(3)12(4)21-13(15)5/h10-13,15-17H,6-9H2,1-5H3
InChIKeyGXPPTKNDAMLCFO-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.79
Rot. Bonds7

About N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 105038829) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID105038829
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1C(C)OC(C)C1C
InChIInChI=1S/C16H30N4O/c1-6-8-17-16(14-10-18-19-20(14)9-7-2)15-11(3)12(4)21-13(15)5/h10-13,15-17H,6-9H2,1-5H3
InChIKeyGXPPTKNDAMLCFO-UHFFFAOYSA-N
XLogP2.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (CID 105038829) is N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cnnn1CCC)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is GXPPTKNDAMLCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-8-17-16(14-10-18-19-20(14)9-7-2)15-11(3)12(4)21-13(15)5/h10-13,15-17H,6-9H2,1-5H3.
What are the key properties of N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105038829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).