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

C13H18N2 — CID 63179071

IUPACN'-(2,3-dihydro-1H-inden-5-yl)butanimidamide
SMILESCCC/C(N)=N\c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2/c1-2-4-13(14)15-12-8-7-10-5-3-6-11(10)9-12/h7-9H,2-6H2,1H3,(H2,14,15)
InChIKeyUZNPJMZGUXAJSP-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.96
Rot. Bonds3

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

N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide (PubChem CID 63179071) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-yl)butanimidamide
PubChem CID63179071
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN'-(2,3-dihydro-1H-inden-5-yl)butanimidamide
SMILESCCC/C(N)=N\c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2/c1-2-4-13(14)15-12-8-7-10-5-3-6-11(10)9-12/h7-9H,2-6H2,1H3,(H2,14,15)
InChIKeyUZNPJMZGUXAJSP-UHFFFAOYSA-N
XLogP2.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide
CID 130500025
N'-(4-aminophenyl)butanimidamide;ethane
CID 155749292
1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide
CID 22675654
N-[4-(1-aminobutylideneamino)phenyl]acetamide
CID 63174235
2-chloro-N'-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)ethanimidamide
CID 169366960
N'-[4-(difluoromethoxy)phenyl]butanimidamide
CID 63175701
2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide
CID 169369108
2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide
CID 169367360
ethyl N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamimidothioate
CID 23218115
4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
CID 43212374
(E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid
CID 82049014
2-[chloro(2,3-dihydro-1H-inden-5-yl)methylidene]pentanenitrile
CID 79405006

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide (CID 63179071) is N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide is CCC/C(N)=N\c1ccc2c(c1)CCC2.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide?
The InChIKey is UZNPJMZGUXAJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-13(14)15-12-8-7-10-5-3-6-11(10)9-12/h7-9H,2-6H2,1H3,(H2,14,15).
What are the key properties of N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide?
N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide has a molecular weight of 202.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-yl)butanimidamide is sourced from PubChem (CID 63179071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).