carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium

C10H14N3+ — CID 152773809

IUPACcarbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium
SMILES[H]/N=C(\N)[NH2+]C1Cc2ccccc2C1
InChIInChI=1S/C10H13N3/c11-10(12)13-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H4,11,12,13)/p+1
InChIKeyDKESMSIFJDXVCT-UHFFFAOYSA-O
MW176.24 g/mol
LogP-0.39
Rot. Bonds1

About carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium

carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium (PubChem CID 152773809) has the molecular formula C10H14N3+ and a molecular weight of 176.24 g/mol. Its IUPAC name is carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium.

Molecular Properties

Compound Namecarbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium
PubChem CID152773809
Molecular FormulaC10H14N3+
Molecular Weight176.24 g/mol
Exact Mass176.12
IUPAC Namecarbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium
SMILES[H]/N=C(\N)[NH2+]C1Cc2ccccc2C1
InChIInChI=1S/C10H13N3/c11-10(12)13-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H4,11,12,13)/p+1
InChIKeyDKESMSIFJDXVCT-UHFFFAOYSA-O
XLogP-0.39
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
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

1,2,3,4-tetrahydroisoquinoline-3-carboximidamide
CID 174590123
bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride
CID 71758321
4-bromo-2,3-dihydro-1H-indene-2-carboximidamide
CID 121451174
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
N'-tert-butyl-2,3-dihydro-1H-indene-2-carboximidamide
CID 65406240
3,4-dihydro-1H-isochromene-1-carboximidamide
CID 75480377
CID 174033948
CID 174033948
2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide
CID 163938469
1-methyl-1,3-dihydroisoindole-2-carboximidamide
CID 175465604
1,2,3,4-tetrahydronaphthalene-1-carboximidamide;hydrochloride
CID 71755662
2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] carbamimidothioate;hydrochloride
CID 71669841

Frequently Asked Questions

What is the IUPAC name of carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium?
The IUPAC name of carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium (CID 152773809) is carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium.
What is the SMILES notation for carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium?
The canonical SMILES for carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium is [H]/N=C(\N)[NH2+]C1Cc2ccccc2C1.
What is the InChIKey of carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium?
The InChIKey is DKESMSIFJDXVCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N3/c11-10(12)13-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H4,11,12,13)/p+1.
What are the key properties of carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium?
carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium has a molecular weight of 176.24 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl(2,3-dihydro-1H-inden-2-yl)azanium is sourced from PubChem (CID 152773809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).