N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide

C13H15N3 — CID 145141078

IUPACN-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(N)C1C=CC=CC1
InChIInChI=1S/C13H15N3/c14-13(11-7-3-1-4-8-11)16(15)12-9-5-2-6-10-12/h1-9,12,14H,10,15H2/b14-13+
InChIKeyCRRZFVWNFVHKMI-BUHFOSPRSA-N
MW213.28 g/mol
LogP2.07
Rot. Bonds2

About N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide

N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide (PubChem CID 145141078) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide
PubChem CID145141078
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(N)C1C=CC=CC1
InChIInChI=1S/C13H15N3/c14-13(11-7-3-1-4-8-11)16(15)12-9-5-2-6-10-12/h1-9,12,14H,10,15H2/b14-13+
InChIKeyCRRZFVWNFVHKMI-BUHFOSPRSA-N
XLogP2.07
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.07
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

N-(benzenecarboximidoyl)-N-phenylbenzenecarboximidamide
CID 102200387
2,3-diamino-3-cyclohexa-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 154433755
N-cyclopropyl-N-ethylbenzenecarboximidamide
CID 63176198
[cyclohexa-2,4-dien-1-yl(phenyl)methyl] carbamimidothioate
CID 143471413
5-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,5-N-trimethyl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
CID 143180347
3-cyclohexa-2,4-dien-1-yl-2-methyl-1-phenylbut-2-en-1-one
CID 151227666
N-cyclopentyl-N-ethylbenzenecarboximidamide
CID 63175661
N-cyclohexa-2,4-dien-1-yl-N-phenylbenzenesulfonamide
CID 143420402
N-cyclohexyl-N-ethylbenzenecarboximidamide
CID 63178786
N'-[N-(benzenecarboximidoyl)-N-methylcarbamimidoyl]benzenecarboximidamide
CID 123674972
N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
CID 63725873
2-(cyclohexa-2,4-diene-1-carbonyl)-5-[hydroxy(phenyl)methylidene]-6-iminocyclohex-2-ene-1,4-dione
CID 173421137

Frequently Asked Questions

What is the IUPAC name of N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide?
The IUPAC name of N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide (CID 145141078) is N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide.
What is the SMILES notation for N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide?
The canonical SMILES for N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide is [H]/N=C(\c1ccccc1)N(N)C1C=CC=CC1.
What is the InChIKey of N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide?
The InChIKey is CRRZFVWNFVHKMI-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H15N3/c14-13(11-7-3-1-4-8-11)16(15)12-9-5-2-6-10-12/h1-9,12,14H,10,15H2/b14-13+.
What are the key properties of N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide?
N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide has a molecular weight of 213.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-cyclohexa-2,4-dien-1-ylbenzenecarboximidamide is sourced from PubChem (CID 145141078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).