4a,5-dihydro-4H-naphthalen-1-imine

C10H11N — CID 123637098

IUPAC4a,5-dihydro-4H-naphthalen-1-imine
SMILES[H]/N=C1\C=CCC2CC=CC=C12
InChIInChI=1S/C10H11N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,6-8,11H,4-5H2/b11-10+
InChIKeyZWWMBOWJGUIWNV-ZHACJKMWSA-N
MW145.20 g/mol
LogP2.47
Rot. Bonds

About 4a,5-dihydro-4H-naphthalen-1-imine

4a,5-dihydro-4H-naphthalen-1-imine (PubChem CID 123637098) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 4a,5-dihydro-4H-naphthalen-1-imine.

Molecular Properties

Compound Name4a,5-dihydro-4H-naphthalen-1-imine
PubChem CID123637098
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name4a,5-dihydro-4H-naphthalen-1-imine
SMILES[H]/N=C1\C=CCC2CC=CC=C12
InChIInChI=1S/C10H11N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,6-8,11H,4-5H2/b11-10+
InChIKeyZWWMBOWJGUIWNV-ZHACJKMWSA-N
XLogP2.47
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4a,5-dihydro-4H-naphthalen-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
Dibenzocycloheptenimin
CID 129628903
(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142417735
3-[(Z)-3-cycloprop-2-en-1-ylidene-3-fluoro-2-methylprop-1-enyl]-4,4,5-trimethyl-8-pent-2-enyl-7,8-dihydronaphthalen-1-imine
CID 144805589
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
6,7,8,8a-tetrahydro-5H-naphthalen-1-imine
CID 22022783
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
CID 23051203
Tricyclo[10.4.0.04,9]hexadeca-1(16),6,8,10,14-pentaen-2-imine
CID 56995744
4,5-Dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine
CID 57011589

Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydro-4H-naphthalen-1-imine?
The IUPAC name of 4a,5-dihydro-4H-naphthalen-1-imine (CID 123637098) is 4a,5-dihydro-4H-naphthalen-1-imine.
What is the SMILES notation for 4a,5-dihydro-4H-naphthalen-1-imine?
The canonical SMILES for 4a,5-dihydro-4H-naphthalen-1-imine is [H]/N=C1\C=CCC2CC=CC=C12.
What is the InChIKey of 4a,5-dihydro-4H-naphthalen-1-imine?
The InChIKey is ZWWMBOWJGUIWNV-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H11N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,6-8,11H,4-5H2/b11-10+.
What are the key properties of 4a,5-dihydro-4H-naphthalen-1-imine?
4a,5-dihydro-4H-naphthalen-1-imine has a molecular weight of 145.20 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydro-4H-naphthalen-1-imine is sourced from PubChem (CID 123637098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).