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

C15H25N5O — CID 62462196

IUPACN-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCN(CCn1cc(CNC(C)(C)C)nn1)Cc1ccoc1
InChIInChI=1S/C15H25N5O/c1-15(2,3)16-9-14-11-20(18-17-14)7-6-19(4)10-13-5-8-21-12-13/h5,8,11-12,16H,6-7,9-10H2,1-4H3
InChIKeyBTCAAMOCAYBSAI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.89
Rot. Bonds7

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

N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62462196) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62462196
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCN(CCn1cc(CNC(C)(C)C)nn1)Cc1ccoc1
InChIInChI=1S/C15H25N5O/c1-15(2,3)16-9-14-11-20(18-17-14)7-6-19(4)10-13-5-8-21-12-13/h5,8,11-12,16H,6-7,9-10H2,1-4H3
InChIKeyBTCAAMOCAYBSAI-UHFFFAOYSA-N
XLogP1.89
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 62462196) is N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CN(CCn1cc(CNC(C)(C)C)nn1)Cc1ccoc1.
What is the InChIKey of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BTCAAMOCAYBSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-15(2,3)16-9-14-11-20(18-17-14)7-6-19(4)10-13-5-8-21-12-13/h5,8,11-12,16H,6-7,9-10H2,1-4H3.
What are the key properties of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.40 g/mol, XLogP of 1.89, 7 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]-2-methylpropan-2-amine is sourced from PubChem (CID 62462196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).