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

C14H21N5O — CID 62462195

IUPACN-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)Cc1ccoc1
InChIInChI=1S/C14H21N5O/c1-18(9-12-4-7-20-11-12)5-6-19-10-14(16-17-19)8-15-13-2-3-13/h4,7,10-11,13,15H,2-3,5-6,8-9H2,1H3
InChIKeyZGLKVVWWRZGHKP-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.26
Rot. Bonds8

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

N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 62462195) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID62462195
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCN(CCn1cc(CNC2CC2)nn1)Cc1ccoc1
InChIInChI=1S/C14H21N5O/c1-18(9-12-4-7-20-11-12)5-6-19-10-14(16-17-19)8-15-13-2-3-13/h4,7,10-11,13,15H,2-3,5-6,8-9H2,1H3
InChIKeyZGLKVVWWRZGHKP-UHFFFAOYSA-N
XLogP1.26
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.26
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]cyclopropanamine?
The IUPAC name of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 62462195) is N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine is CN(CCn1cc(CNC2CC2)nn1)Cc1ccoc1.
What is the InChIKey of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ZGLKVVWWRZGHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18(9-12-4-7-20-11-12)5-6-19-10-14(16-17-19)8-15-13-2-3-13/h4,7,10-11,13,15H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-[furan-3-ylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 275.36 g/mol, XLogP of 1.26, 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]cyclopropanamine is sourced from PubChem (CID 62462195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).