N'-propyl-2,3-dihydroindole-1-carboximidamide

C12H17N3 — CID 62360656

IUPACN'-propyl-2,3-dihydroindole-1-carboximidamide
SMILESCCC/N=C(\N)N1CCc2ccccc21
InChIInChI=1S/C12H17N3/c1-2-8-14-12(13)15-9-7-10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H2,13,14)
InChIKeyTUESSWUBWBSTPC-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.77
Rot. Bonds2

About N'-propyl-2,3-dihydroindole-1-carboximidamide

N'-propyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 62360656) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-propyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-propyl-2,3-dihydroindole-1-carboximidamide
PubChem CID62360656
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN'-propyl-2,3-dihydroindole-1-carboximidamide
SMILESCCC/N=C(\N)N1CCc2ccccc21
InChIInChI=1S/C12H17N3/c1-2-8-14-12(13)15-9-7-10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H2,13,14)
InChIKeyTUESSWUBWBSTPC-UHFFFAOYSA-N
XLogP1.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.77
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'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
6-methyl-N'-propyl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 62359573
S-ethyl 2,3-dihydroindole-1-carbothioate
CID 46914254
2,3-dihydroindole-1-carbothioic S-acid;propanamide
CID 87347076
N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
N'-(2-naphthalen-1-ylethyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 67553346
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
CID 22627552
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242

Frequently Asked Questions

What is the IUPAC name of N'-propyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-propyl-2,3-dihydroindole-1-carboximidamide (CID 62360656) is N'-propyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-propyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-propyl-2,3-dihydroindole-1-carboximidamide is CCC/N=C(\N)N1CCc2ccccc21.
What is the InChIKey of N'-propyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is TUESSWUBWBSTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-8-14-12(13)15-9-7-10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H2,13,14).
What are the key properties of N'-propyl-2,3-dihydroindole-1-carboximidamide?
N'-propyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 203.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 62360656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).