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

C15H29N5O — CID 62434658

IUPAC2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCN(CCn1cc(CNC(C)(C)C)nn1)CC1CCCO1
InChIInChI=1S/C15H29N5O/c1-15(2,3)16-10-13-11-20(18-17-13)8-7-19(4)12-14-6-5-9-21-14/h11,14,16H,5-10,12H2,1-4H3
InChIKeyVFYWDUQMURKYGO-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.28
Rot. Bonds7

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

2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62434658) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62434658
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCN(CCn1cc(CNC(C)(C)C)nn1)CC1CCCO1
InChIInChI=1S/C15H29N5O/c1-15(2,3)16-10-13-11-20(18-17-13)8-7-19(4)12-14-6-5-9-21-14/h11,14,16H,5-10,12H2,1-4H3
InChIKeyVFYWDUQMURKYGO-UHFFFAOYSA-N
XLogP1.28
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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 2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62434658) is 2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is CN(CCn1cc(CNC(C)(C)C)nn1)CC1CCCO1.
What is the InChIKey of 2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is VFYWDUQMURKYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-15(2,3)16-10-13-11-20(18-17-13)8-7-19(4)12-14-6-5-9-21-14/h11,14,16H,5-10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62434658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).