N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine

C16H21N5 — CID 106719107

IUPACN-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2nn(C)c3ccccc23)cn1
InChIInChI=1S/C16H21N5/c1-3-8-17-9-13-10-21(12-18-13)11-15-14-6-4-5-7-16(14)20(2)19-15/h4-7,10,12,17H,3,8-9,11H2,1-2H3
InChIKeyQIQDHWNNJVXQQV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.32
Rot. Bonds6

About N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine

N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106719107) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID106719107
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(Cc2nn(C)c3ccccc23)cn1
InChIInChI=1S/C16H21N5/c1-3-8-17-9-13-10-21(12-18-13)11-15-14-6-4-5-7-16(14)20(2)19-15/h4-7,10,12,17H,3,8-9,11H2,1-2H3
InChIKeyQIQDHWNNJVXQQV-UHFFFAOYSA-N
XLogP2.32
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719254
N-[[1-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719188
N-[(1-methylindazol-3-yl)methyl]hexan-1-amine
CID 62997880
2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine
CID 79972718
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719181
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719105
3-[[4-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 106719183
N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
CID 79985350
N-[[1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 114204643
5-bromo-N-[(1-methylindazol-3-yl)methyl]pentan-1-amine
CID 107320459
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 106719107) is N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(Cc2nn(C)c3ccccc23)cn1.
What is the InChIKey of N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is QIQDHWNNJVXQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-3-8-17-9-13-10-21(12-18-13)11-15-14-6-4-5-7-16(14)20(2)19-15/h4-7,10,12,17H,3,8-9,11H2,1-2H3.
What are the key properties of N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylindazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106719107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).