N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide

C13H19N3 — CID 21338580

IUPACN'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1ccc2c(c1)C(N)CC2)N(C)C
InChIInChI=1S/C13H19N3/c1-9(16(2)3)15-11-6-4-10-5-7-13(14)12(10)8-11/h4,6,8,13H,5,7,14H2,1-3H3/b15-9+
InChIKeyUFOKDFXPTQHWTQ-OQLLNIDSSA-N
MW217.32 g/mol
LogP2.24
Rot. Bonds1

About N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide

N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide (PubChem CID 21338580) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide
PubChem CID21338580
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1ccc2c(c1)C(N)CC2)N(C)C
InChIInChI=1S/C13H19N3/c1-9(16(2)3)15-11-6-4-10-5-7-13(14)12(10)8-11/h4,6,8,13H,5,7,14H2,1-3H3/b15-9+
InChIKeyUFOKDFXPTQHWTQ-OQLLNIDSSA-N
XLogP2.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-2,3-dihydro-1H-inden-5-yl)ethanone
CID 90845496
6-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 50988168
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
(1R)-6-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 131884185
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
6-(methoxymethyl)-2,3-dihydro-1H-inden-1-amine
CID 57039214
O-[(1-amino-2,3-dihydro-1H-inden-5-yl)] N,N-dimethylcarbamothioate
CID 11242761
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 59505660
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 55278481

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide?
The IUPAC name of N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide (CID 21338580) is N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide is C/C(=N\c1ccc2c(c1)C(N)CC2)N(C)C.
What is the InChIKey of N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide?
The InChIKey is UFOKDFXPTQHWTQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(16(2)3)15-11-6-4-10-5-7-13(14)12(10)8-11/h4,6,8,13H,5,7,14H2,1-3H3/b15-9+.
What are the key properties of N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide?
N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide has a molecular weight of 217.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 21338580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).