1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine

C24H32N2O2 — CID 156902995

IUPAC1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine
SMILESNC1(OCCCCCCOC2(N)CCc3ccccc32)CCc2ccccc21
InChIInChI=1S/C24H32N2O2/c25-23(15-13-19-9-3-5-11-21(19)23)27-17-7-1-2-8-18-28-24(26)16-14-20-10-4-6-12-22(20)24/h3-6,9-12H,1-2,7-8,13-18,25-26H2
InChIKeyZIKJBDFJCCSMDJ-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.10
Rot. Bonds9

About 1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine

1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine (PubChem CID 156902995) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine
PubChem CID156902995
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine
SMILESNC1(OCCCCCCOC2(N)CCc3ccccc32)CCc2ccccc21
InChIInChI=1S/C24H32N2O2/c25-23(15-13-19-9-3-5-11-21(19)23)27-17-7-1-2-8-18-28-24(26)16-14-20-10-4-6-12-22(20)24/h3-6,9-12H,1-2,7-8,13-18,25-26H2
InChIKeyZIKJBDFJCCSMDJ-UHFFFAOYSA-N
XLogP4.10
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-2,3-dihydroinden-1-amine
CID 21714417
(1-Amino-2,3-dihydroinden-1-yl) formate
CID 57102593
1-Ethoxy-2,3-dihydroinden-1-amine
CID 67762795
1-Pentoxy-2,3-dihydroinden-1-amine
CID 67764672
(1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 93419712
(1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 126511580
(1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine
CID 126511591
(1-Amino-2,3-dihydroinden-1-yl) carbamate
CID 140447484
O-[(1-amino-2,3-dihydroinden-1-yl)] carbamothioate
CID 140447486
1-Phenylmethoxy-2,3-dihydroinden-1-amine
CID 140512825
1-Prop-2-enoxy-2,3-dihydroinden-1-amine
CID 168860532
(9-Aminofluoren-9-yl) acetate
CID 174605373

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine?
The IUPAC name of 1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine (CID 156902995) is 1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine is NC1(OCCCCCCOC2(N)CCc3ccccc32)CCc2ccccc21.
What is the InChIKey of 1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine?
The InChIKey is ZIKJBDFJCCSMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c25-23(15-13-19-9-3-5-11-21(19)23)27-17-7-1-2-8-18-28-24(26)16-14-20-10-4-6-12-22(20)24/h3-6,9-12H,1-2,7-8,13-18,25-26H2.
What are the key properties of 1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine?
1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine has a molecular weight of 380.53 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1-amino-2,3-dihydroinden-1-yl)oxy]hexoxy]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 156902995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).