N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine

C15H29N5O — CID 62430835

IUPACN-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)CC2CCCCO2)nn1
InChIInChI=1S/C15H29N5O/c1-13(2)16-10-14-11-20(18-17-14)8-7-19(3)12-15-6-4-5-9-21-15/h11,13,15-16H,4-10,12H2,1-3H3
InChIKeyQHEIFJJEJHRVKP-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.28
Rot. Bonds8

About N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62430835) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62430835
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)CC2CCCCO2)nn1
InChIInChI=1S/C15H29N5O/c1-13(2)16-10-14-11-20(18-17-14)8-7-19(3)12-15-6-4-5-9-21-15/h11,13,15-16H,4-10,12H2,1-3H3
InChIKeyQHEIFJJEJHRVKP-UHFFFAOYSA-N
XLogP1.28
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62430835) is N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCN(C)CC2CCCCO2)nn1.
What is the InChIKey of N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is QHEIFJJEJHRVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-13(2)16-10-14-11-20(18-17-14)8-7-19(3)12-15-6-4-5-9-21-15/h11,13,15-16H,4-10,12H2,1-3H3.
What are the key properties of N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62430835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).