5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide

C14H18N6 — CID 57164337

IUPAC5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1CCCC2=NN1CCN=C1N
InChIInChI=1S/C14H18N6/c15-13(16)11-5-1-4-10-9(11)3-2-6-12(10)19-20-8-7-18-14(20)17/h1,4-5H,2-3,6-8H2,(H3,15,16)(H2,17,18)
InChIKeyJCZVHNYXPZVKOP-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.64
Rot. Bonds2

About 5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide

5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide (PubChem CID 57164337) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide.

Molecular Properties

Compound Name5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide
PubChem CID57164337
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1CCCC2=NN1CCN=C1N
InChIInChI=1S/C14H18N6/c15-13(16)11-5-1-4-10-9(11)3-2-6-12(10)19-20-8-7-18-14(20)17/h1,4-5H,2-3,6-8H2,(H3,15,16)(H2,17,18)
InChIKeyJCZVHNYXPZVKOP-UHFFFAOYSA-N
XLogP0.64
TPSA103.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride
CID 18937912
5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride
CID 67672739
(1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 18937950
1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide
CID 57306774
1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 67673913
1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide
CID 67672706
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide
CID 107109980
2-(azocan-1-yl)benzenecarboximidamide
CID 28801457
1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 67721601
6-(2,3-dihydroindol-1-yl)pyridine-2-carboximidamide
CID 64595927
3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide
CID 62971559
3-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 107110319

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide?
The IUPAC name of 5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide (CID 57164337) is 5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide.
What is the SMILES notation for 5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide?
The canonical SMILES for 5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide is [H]/N=C(\N)c1cccc2c1CCCC2=NN1CCN=C1N.
What is the InChIKey of 5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide?
The InChIKey is JCZVHNYXPZVKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c15-13(16)11-5-1-4-10-9(11)3-2-6-12(10)19-20-8-7-18-14(20)17/h1,4-5H,2-3,6-8H2,(H3,15,16)(H2,17,18).
What are the key properties of 5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide?
5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide has a molecular weight of 270.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide is sourced from PubChem (CID 57164337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).