N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine

C18H28N2 — CID 95121650

IUPACN-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCCN1CCC[C@H](CNC2Cc3ccccc3C2)C1
InChIInChI=1S/C18H28N2/c1-2-9-20-10-5-6-15(14-20)13-19-18-11-16-7-3-4-8-17(16)12-18/h3-4,7-8,15,18-19H,2,5-6,9-14H2,1H3/t15-/m1/s1
InChIKeyDBWPCPONXHDKQH-OAHLLOKOSA-N
MW272.44 g/mol
LogP2.87
Rot. Bonds5

About N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine

N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 95121650) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID95121650
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCCN1CCC[C@H](CNC2Cc3ccccc3C2)C1
InChIInChI=1S/C18H28N2/c1-2-9-20-10-5-6-15(14-20)13-19-18-11-16-7-3-4-8-17(16)12-18/h3-4,7-8,15,18-19H,2,5-6,9-14H2,1H3/t15-/m1/s1
InChIKeyDBWPCPONXHDKQH-OAHLLOKOSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 95121650) is N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine is CCCN1CCC[C@H](CNC2Cc3ccccc3C2)C1.
What is the InChIKey of N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is DBWPCPONXHDKQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-9-20-10-5-6-15(14-20)13-19-18-11-16-7-3-4-8-17(16)12-18/h3-4,7-8,15,18-19H,2,5-6,9-14H2,1H3/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine?
N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 272.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-propylpiperidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 95121650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).