N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C18H25N3 — CID 79752776

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1C)C1Cc2ccccc2C1
InChIInChI=1S/C18H25N3/c1-3-8-19-17(13-18-20-9-10-21(18)2)16-11-14-6-4-5-7-15(14)12-16/h4-7,9-10,16-17,19H,3,8,11-13H2,1-2H3
InChIKeyIYFCZEPMMWCAOJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.75
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 79752776) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID79752776
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1C)C1Cc2ccccc2C1
InChIInChI=1S/C18H25N3/c1-3-8-19-17(13-18-20-9-10-21(18)2)16-11-14-6-4-5-7-15(14)12-16/h4-7,9-10,16-17,19H,3,8,11-13H2,1-2H3
InChIKeyIYFCZEPMMWCAOJ-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 79752776) is N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1C)C1Cc2ccccc2C1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is IYFCZEPMMWCAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-8-19-17(13-18-20-9-10-21(18)2)16-11-14-6-4-5-7-15(14)12-16/h4-7,9-10,16-17,19H,3,8,11-13H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79752776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).