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

C14H27N5O — CID 62434656

IUPACN-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)CC2CCCO2)nn1
InChIInChI=1S/C14H27N5O/c1-12(2)15-9-13-10-19(17-16-13)7-6-18(3)11-14-5-4-8-20-14/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeySKDFDMSZHCHSIH-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds8

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

N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62434656) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62434656
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)CC2CCCO2)nn1
InChIInChI=1S/C14H27N5O/c1-12(2)15-9-13-10-19(17-16-13)7-6-18(3)11-14-5-4-8-20-14/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeySKDFDMSZHCHSIH-UHFFFAOYSA-N
XLogP0.89
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
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(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62434656) is N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCN(C)CC2CCCO2)nn1.
What is the InChIKey of N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is SKDFDMSZHCHSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-12(2)15-9-13-10-19(17-16-13)7-6-18(3)11-14-5-4-8-20-14/h10,12,14-15H,4-9,11H2,1-3H3.
What are the key properties of N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 0.89, 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(oxolan-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62434656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).