1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine

C16H25N3 — CID 79742082

IUPAC1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCC(C)N1CCN(C2CCc3cc(N)ccc32)CC1
InChIInChI=1S/C16H25N3/c1-12(2)18-7-9-19(10-8-18)16-6-3-13-11-14(17)4-5-15(13)16/h4-5,11-12,16H,3,6-10,17H2,1-2H3
InChIKeyMZBHLEVIPONKMO-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine

1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 79742082) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID79742082
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCC(C)N1CCN(C2CCc3cc(N)ccc32)CC1
InChIInChI=1S/C16H25N3/c1-12(2)18-7-9-19(10-8-18)16-6-3-13-11-14(17)4-5-15(13)16/h4-5,11-12,16H,3,6-10,17H2,1-2H3
InChIKeyMZBHLEVIPONKMO-UHFFFAOYSA-N
XLogP2.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741362
3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 105490242
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618
1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103541608
1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one
CID 79741363
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741366
1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721711
1-(2-azaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79746635
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
CID 102887555
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 82751547
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79936509

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine (CID 79742082) is 1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine is CC(C)N1CCN(C2CCc3cc(N)ccc32)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is MZBHLEVIPONKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)18-7-9-19(10-8-18)16-6-3-13-11-14(17)4-5-15(13)16/h4-5,11-12,16H,3,6-10,17H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine?
1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 259.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 79742082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).