N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine

C15H19N3 — CID 43749760

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(Cn1ccnc1)NC1CCc2ccccc21
InChIInChI=1S/C15H19N3/c1-12(10-18-9-8-16-11-18)17-15-7-6-13-4-2-3-5-14(13)15/h2-5,8-9,11-12,15,17H,6-7,10H2,1H3
InChIKeyDBVKTDBVHBQLOC-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.55
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine

N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 43749760) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID43749760
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(Cn1ccnc1)NC1CCc2ccccc21
InChIInChI=1S/C15H19N3/c1-12(10-18-9-8-16-11-18)17-15-7-6-13-4-2-3-5-14(13)15/h2-5,8-9,11-12,15,17H,6-7,10H2,1H3
InChIKeyDBVKTDBVHBQLOC-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine (CID 43749760) is N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine is CC(Cn1ccnc1)NC1CCc2ccccc21.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DBVKTDBVHBQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12(10-18-9-8-16-11-18)17-15-7-6-13-4-2-3-5-14(13)15/h2-5,8-9,11-12,15,17H,6-7,10H2,1H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43749760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).