N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine

C17H21N3O — CID 62448270

IUPACN-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1coc(Cn2ncc3ccccc32)c1
InChIInChI=1S/C17H21N3O/c1-13(2)8-18-9-14-7-16(21-12-14)11-20-17-6-4-3-5-15(17)10-19-20/h3-7,10,12-13,18H,8-9,11H2,1-2H3
InChIKeyKQGLEKPXPHNGBW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.42
Rot. Bonds6

About N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62448270) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62448270
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1coc(Cn2ncc3ccccc32)c1
InChIInChI=1S/C17H21N3O/c1-13(2)8-18-9-14-7-16(21-12-14)11-20-17-6-4-3-5-15(17)10-19-20/h3-7,10,12-13,18H,8-9,11H2,1-2H3
InChIKeyKQGLEKPXPHNGBW-UHFFFAOYSA-N
XLogP3.42
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 55073179
5-(indazol-1-ylmethyl)furan-3-carboxylic acid
CID 62267281
3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79619528
N-[(2-indazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62294643
2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62443435
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 116793496
2-methyl-N-[[5-[(2-methylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439121
N-[[5-(indazol-1-ylmethyl)-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62448827
2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413319
N-[[5-(indazol-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107557716
N-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62423538
[5-(indazol-1-ylmethyl)furan-2-yl]methanol
CID 113372439

Frequently Asked Questions

What is the IUPAC name of N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine (CID 62448270) is N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1coc(Cn2ncc3ccccc32)c1.
What is the InChIKey of N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KQGLEKPXPHNGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(2)8-18-9-14-7-16(21-12-14)11-20-17-6-4-3-5-15(17)10-19-20/h3-7,10,12-13,18H,8-9,11H2,1-2H3.
What are the key properties of N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62448270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).