N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine

C16H21N3 — CID 65405264

IUPACN-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2Cc3ccccc3C2)[nH]1
InChIInChI=1S/C16H21N3/c1-2-7-17-10-15-11-18-16(19-15)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14,17H,2,7-10H2,1H3,(H,18,19)
InChIKeyRRATVJXUQDTHCN-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.79
Rot. Bonds5

About N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine

N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine (PubChem CID 65405264) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
PubChem CID65405264
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2Cc3ccccc3C2)[nH]1
InChIInChI=1S/C16H21N3/c1-2-7-17-10-15-11-18-16(19-15)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14,17H,2,7-10H2,1H3,(H,18,19)
InChIKeyRRATVJXUQDTHCN-UHFFFAOYSA-N
XLogP2.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine (CID 65405264) is N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2Cc3ccccc3C2)[nH]1.
What is the InChIKey of N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The InChIKey is RRATVJXUQDTHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-7-17-10-15-11-18-16(19-15)14-8-12-5-3-4-6-13(12)9-14/h3-6,11,14,17H,2,7-10H2,1H3,(H,18,19).
What are the key properties of N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine?
N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65405264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).