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

C14H22N4O — CID 46990481

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1ccco1)Cc1ncnn1CC
InChIInChI=1S/C14H22N4O/c1-3-5-8-17(10-13-7-6-9-19-13)11-14-15-12-16-18(14)4-2/h6-7,9,12H,3-5,8,10-11H2,1-2H3
InChIKeyYAMAWKYPSHUPKD-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.69
Rot. Bonds8

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

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine (PubChem CID 46990481) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
PubChem CID46990481
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1ccco1)Cc1ncnn1CC
InChIInChI=1S/C14H22N4O/c1-3-5-8-17(10-13-7-6-9-19-13)11-14-15-12-16-18(14)4-2/h6-7,9,12H,3-5,8,10-11H2,1-2H3
InChIKeyYAMAWKYPSHUPKD-UHFFFAOYSA-N
XLogP2.69
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine
CID 46983650
N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine
CID 46989025
N-(furan-2-ylmethyl)-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]butan-1-amine
CID 46982555
2-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 80673751
3-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 80691392
1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine
CID 122369866
1-[2-(dibutylamino)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 3488744
2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60689402
2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
CID 42836985
N'-(furan-2-ylmethyl)-N'-[(4-methylphenyl)methyl]butane-1,4-diamine
CID 83969290
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine (CID 46990481) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine is CCCCN(Cc1ccco1)Cc1ncnn1CC.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine?
The InChIKey is YAMAWKYPSHUPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-5-8-17(10-13-7-6-9-19-13)11-14-15-12-16-18(14)4-2/h6-7,9,12H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine has a molecular weight of 262.36 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-(furan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 46990481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).