N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide

C13H18N2 — CID 65405078

IUPACN'-propyl-2,3-dihydro-1H-indene-1-carboximidamide
SMILESCCC/N=C(\N)C1CCc2ccccc21
InChIInChI=1S/C13H18N2/c1-2-9-15-13(14)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,2,7-9H2,1H3,(H2,14,15)
InChIKeyAZUPOAHQLLXGDY-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.48
Rot. Bonds3

About N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide

N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide (PubChem CID 65405078) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide.

Molecular Properties

Compound NameN'-propyl-2,3-dihydro-1H-indene-1-carboximidamide
PubChem CID65405078
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN'-propyl-2,3-dihydro-1H-indene-1-carboximidamide
SMILESCCC/N=C(\N)C1CCc2ccccc21
InChIInChI=1S/C13H18N2/c1-2-9-15-13(14)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,2,7-9H2,1H3,(H2,14,15)
InChIKeyAZUPOAHQLLXGDY-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

S-butyl 2,3-dihydro-1H-indene-1-carbothioate
CID 168875653
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide
CID 64985525
1-ethyl-2,3-dihydro-1H-indene
CID 20971
1-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfonylbutan-1-one
CID 65407807
(1S,2S)-1-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 163236306
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
CID 99939190
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
CID 65408196
2-(2,3-dihydro-1H-inden-1-yl)-N'-hydroxyethanimidamide
CID 15744568

Frequently Asked Questions

What is the IUPAC name of N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide?
The IUPAC name of N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide (CID 65405078) is N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide.
What is the SMILES notation for N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide?
The canonical SMILES for N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide is CCC/N=C(\N)C1CCc2ccccc21.
What is the InChIKey of N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide?
The InChIKey is AZUPOAHQLLXGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-9-15-13(14)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,2,7-9H2,1H3,(H2,14,15).
What are the key properties of N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide?
N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide has a molecular weight of 202.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-2,3-dihydro-1H-indene-1-carboximidamide is sourced from PubChem (CID 65405078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).