N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide

C12H16N4 — CID 116513680

IUPACN-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide
SMILESNN/C(=N\C1CC1)N1Cc2ccccc2C1
InChIInChI=1S/C12H16N4/c13-15-12(14-11-5-6-11)16-7-9-3-1-2-4-10(9)8-16/h1-4,11H,5-8,13H2,(H,14,15)
InChIKeyYXOJCWMLAHHSLJ-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.98
Rot. Bonds1

About N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide

N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide (PubChem CID 116513680) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide
PubChem CID116513680
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide
SMILESNN/C(=N\C1CC1)N1Cc2ccccc2C1
InChIInChI=1S/C12H16N4/c13-15-12(14-11-5-6-11)16-7-9-3-1-2-4-10(9)8-16/h1-4,11H,5-8,13H2,(H,14,15)
InChIKeyYXOJCWMLAHHSLJ-UHFFFAOYSA-N
XLogP0.98
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 116513553
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CID 116512879
N,N'-dicyclohexyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 11702851
N'-(4-aminocyclohexyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 163642773
N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide
CID 104884388
N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 116512846
N'-cyclopropyl-N-phenylpiperidine-1-carboximidamide
CID 111024258
N-amino-N'-cyclopentyl-4-cyclopropylpiperazine-1-carboximidamide
CID 104885662
1-amino-2-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 64869017
2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
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CID 12916005
N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide
CID 79206755

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide (CID 116513680) is N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide is NN/C(=N\C1CC1)N1Cc2ccccc2C1.
What is the InChIKey of N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide?
The InChIKey is YXOJCWMLAHHSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-15-12(14-11-5-6-11)16-7-9-3-1-2-4-10(9)8-16/h1-4,11H,5-8,13H2,(H,14,15).
What are the key properties of N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide?
N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide has a molecular weight of 216.29 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide is sourced from PubChem (CID 116513680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).