N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine

C13H16N4 — CID 2807043

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc2c(c1)CCCC2=NNC1=NCCN1
InChIInChI=1S/C13H16N4/c1-2-6-11-10(4-1)5-3-7-12(11)16-17-13-14-8-9-15-13/h1-2,4,6H,3,5,7-9H2,(H2,14,15,17)
InChIKeyDJKCMFHYHCMOMS-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.28
Rot. Bonds1

About N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 2807043) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID2807043
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc2c(c1)CCCC2=NNC1=NCCN1
InChIInChI=1S/C13H16N4/c1-2-6-11-10(4-1)5-3-7-12(11)16-17-13-14-8-9-15-13/h1-2,4,6H,3,5,7-9H2,(H2,14,15,17)
InChIKeyDJKCMFHYHCMOMS-UHFFFAOYSA-N
XLogP1.28
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-propan-2-ylthiourea
CID 9611470
1-phenylethan-1-one 1-(4,5-dihydro-1H-imidazol-2-yl)hydrazone
CID 9583612
1-Anthracenecarboxaldehyde, (4,5-dihydro-1H-imidazol-2-yl)hydrazone
CID 9577173
N-[(E)-(2,6-dimethylphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 13975372
N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine
CID 2807044
N-[(E)-1-[3-[(E)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
CID 45261946
N-[(E)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 9556208
CL 236502
CID 9576823
N-[(Z)-1-phenylethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 5714211
N-[(E)-1-phenylethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 9582909
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 9582913
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 9583614

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine (CID 2807043) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine is c1ccc2c(c1)CCCC2=NNC1=NCCN1.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is DJKCMFHYHCMOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-6-11-10(4-1)5-3-7-12(11)16-17-13-14-8-9-15-13/h1-2,4,6H,3,5,7-9H2,(H2,14,15,17).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 228.30 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 2807043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).