(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine

C28H40N2O2 — CID 146597119

IUPAC(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1c2ccccc2C[C@H]1OCCCCCCCCCCO[C@@H]1Cc2ccccc2[C@H]1N
InChIInChI=1S/C28H40N2O2/c29-27-23-15-9-7-13-21(23)19-25(27)31-17-11-5-3-1-2-4-6-12-18-32-26-20-22-14-8-10-16-24(22)28(26)30/h7-10,13-16,25-28H,1-6,11-12,17-20,29-30H2/t25-,26-,27-,28-/m1/s1
InChIKeyMLPPEBNQHGJSDF-BIYDSLDMSA-N
MW436.64 g/mol
LogP5.39
Rot. Bonds13

About (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine

(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 146597119) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID146597119
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1c2ccccc2C[C@H]1OCCCCCCCCCCO[C@@H]1Cc2ccccc2[C@H]1N
InChIInChI=1S/C28H40N2O2/c29-27-23-15-9-7-13-21(23)19-25(27)31-17-11-5-3-1-2-4-6-12-18-32-26-20-22-14-8-10-16-24(22)28(26)30/h7-10,13-16,25-28H,1-6,11-12,17-20,29-30H2/t25-,26-,27-,28-/m1/s1
InChIKeyMLPPEBNQHGJSDF-BIYDSLDMSA-N
XLogP5.39
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine
CID 151204534
(1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine
CID 175792010
(1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 174048033
(1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine
CID 155468615
(1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 93419712
6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43127864
2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine
CID 43127698
2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419211
2-naphthalen-1-yloxy-2,3-dihydro-1H-inden-1-amine
CID 43100876
7-hexoxybicyclo[4.2.0]octa-1,3,5-triene
CID 122208722
(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
CID 155763743
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine (CID 146597119) is (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine is N[C@@H]1c2ccccc2C[C@H]1OCCCCCCCCCCO[C@@H]1Cc2ccccc2[C@H]1N.
What is the InChIKey of (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MLPPEBNQHGJSDF-BIYDSLDMSA-N. The full InChI is InChI=1S/C28H40N2O2/c29-27-23-15-9-7-13-21(23)19-25(27)31-17-11-5-3-1-2-4-6-12-18-32-26-20-22-14-8-10-16-24(22)28(26)30/h7-10,13-16,25-28H,1-6,11-12,17-20,29-30H2/t25-,26-,27-,28-/m1/s1.
What are the key properties of (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine?
(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 436.64 g/mol, XLogP of 5.39, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 146597119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).