N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

C15H24N4O — CID 46954431

IUPACN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCN(C)CCCN(Cc1cnn(C)c1)Cc1ccco1
InChIInChI=1S/C15H24N4O/c1-17(2)7-5-8-19(13-15-6-4-9-20-15)12-14-10-16-18(3)11-14/h4,6,9-11H,5,7-8,12-13H2,1-3H3
InChIKeyUWSTZRHZWFOJRW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds8

About N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 46954431) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID46954431
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCN(C)CCCN(Cc1cnn(C)c1)Cc1ccco1
InChIInChI=1S/C15H24N4O/c1-17(2)7-5-8-19(13-15-6-4-9-20-15)12-14-10-16-18(3)11-14/h4,6,9-11H,5,7-8,12-13H2,1-3H3
InChIKeyUWSTZRHZWFOJRW-UHFFFAOYSA-N
XLogP1.97
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 46954431) is N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is CN(C)CCCN(Cc1cnn(C)c1)Cc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is UWSTZRHZWFOJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17(2)7-5-8-19(13-15-6-4-9-20-15)12-14-10-16-18(3)11-14/h4,6,9-11H,5,7-8,12-13H2,1-3H3.
What are the key properties of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 276.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 46954431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).