N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine

C14H24N4O — CID 103527586

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine
SMILESCC(C)(C)n1cc(CNC2CCOC2C2CC2)nn1
InChIInChI=1S/C14H24N4O/c1-14(2,3)18-9-11(16-17-18)8-15-12-6-7-19-13(12)10-4-5-10/h9-10,12-13,15H,4-8H2,1-3H3
InChIKeyMICMMLMDTQOTHS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds4

About N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103527586) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID103527586
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine
SMILESCC(C)(C)n1cc(CNC2CCOC2C2CC2)nn1
InChIInChI=1S/C14H24N4O/c1-14(2,3)18-9-11(16-17-18)8-15-12-6-7-19-13(12)10-4-5-10/h9-10,12-13,15H,4-8H2,1-3H3
InChIKeyMICMMLMDTQOTHS-UHFFFAOYSA-N
XLogP1.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine (CID 103527586) is N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine is CC(C)(C)n1cc(CNC2CCOC2C2CC2)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is MICMMLMDTQOTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)18-9-11(16-17-18)8-15-12-6-7-19-13(12)10-4-5-10/h9-10,12-13,15H,4-8H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 264.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103527586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).