N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine

C13H24N4O — CID 105038831

IUPACN-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1CCOC1C
InChIInChI=1S/C13H24N4O/c1-4-7-17-12(9-15-16-17)13(14-5-2)11-6-8-18-10(11)3/h9-11,13-14H,4-8H2,1-3H3
InChIKeyPEIRNNLSDMCQBK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.76
Rot. Bonds6

About N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine

N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 105038831) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
PubChem CID105038831
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)C1CCOC1C
InChIInChI=1S/C13H24N4O/c1-4-7-17-12(9-15-16-17)13(14-5-2)11-6-8-18-10(11)3/h9-11,13-14H,4-8H2,1-3H3
InChIKeyPEIRNNLSDMCQBK-UHFFFAOYSA-N
XLogP1.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine (CID 105038831) is N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine is CCCn1nncc1C(NCC)C1CCOC1C.
What is the InChIKey of N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is PEIRNNLSDMCQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-7-17-12(9-15-16-17)13(14-5-2)11-6-8-18-10(11)3/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine?
N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105038831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).