N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine

C14H23N5O — CID 62462194

IUPACN-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)Cc2ccoc2)nn1
InChIInChI=1S/C14H23N5O/c1-12(2)15-8-14-10-19(17-16-14)6-5-18(3)9-13-4-7-20-11-13/h4,7,10-12,15H,5-6,8-9H2,1-3H3
InChIKeyRJZWMDOWJRSKLY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.50
Rot. Bonds8

About N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62462194) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62462194
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)Cc2ccoc2)nn1
InChIInChI=1S/C14H23N5O/c1-12(2)15-8-14-10-19(17-16-14)6-5-18(3)9-13-4-7-20-11-13/h4,7,10-12,15H,5-6,8-9H2,1-3H3
InChIKeyRJZWMDOWJRSKLY-UHFFFAOYSA-N
XLogP1.50
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62462194) is N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCN(C)Cc2ccoc2)nn1.
What is the InChIKey of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is RJZWMDOWJRSKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-12(2)15-8-14-10-19(17-16-14)6-5-18(3)9-13-4-7-20-11-13/h4,7,10-12,15H,5-6,8-9H2,1-3H3.
What are the key properties of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 277.37 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62462194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).