N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine

C15H28N4O — CID 114689062

IUPACN-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCO1)c1cnnn1CCC
InChIInChI=1S/C15H28N4O/c1-3-8-16-14(11-13-7-5-6-10-20-13)15-12-17-18-19(15)9-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyFPZZWKUCIRZIFT-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.69
Rot. Bonds8

About N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine

N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine (PubChem CID 114689062) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
PubChem CID114689062
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCO1)c1cnnn1CCC
InChIInChI=1S/C15H28N4O/c1-3-8-16-14(11-13-7-5-6-10-20-13)15-12-17-18-19(15)9-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyFPZZWKUCIRZIFT-UHFFFAOYSA-N
XLogP2.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63975942
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660477
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-2-(oxan-2-yl)ethanamine
CID 114660462
N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 105038466
1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 82903491
N-[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(oxan-2-yl)ethyl]propan-1-amine
CID 114660474
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114687494
1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115860071

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine (CID 114689062) is N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine is CCCNC(CC1CCCCO1)c1cnnn1CCC.
What is the InChIKey of N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
The InChIKey is FPZZWKUCIRZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-8-16-14(11-13-7-5-6-10-20-13)15-12-17-18-19(15)9-4-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114689062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).