1,2,3,4-tetrahydroacenaphthylene-5,6-diamine

C12H14N2 — CID 133084024

IUPAC1,2,3,4-tetrahydroacenaphthylene-5,6-diamine
SMILESNC1=c2c(N)ccc3c2=C(CC1)CC3
InChIInChI=1S/C12H14N2/c13-9-5-3-7-1-2-8-4-6-10(14)12(9)11(7)8/h3,5H,1-2,4,6,13-14H2
InChIKeyBBWQSCPBGQADQP-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.23
Rot. Bonds

About 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine

1,2,3,4-tetrahydroacenaphthylene-5,6-diamine (PubChem CID 133084024) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine.

Molecular Properties

Compound Name1,2,3,4-tetrahydroacenaphthylene-5,6-diamine
PubChem CID133084024
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,2,3,4-tetrahydroacenaphthylene-5,6-diamine
SMILESNC1=c2c(N)ccc3c2=C(CC1)CC3
InChIInChI=1S/C12H14N2/c13-9-5-3-7-1-2-8-4-6-10(14)12(9)11(7)8/h3,5H,1-2,4,6,13-14H2
InChIKeyBBWQSCPBGQADQP-UHFFFAOYSA-N
XLogP0.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine?
The IUPAC name of 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine (CID 133084024) is 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine.
What is the SMILES notation for 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine?
The canonical SMILES for 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine is NC1=c2c(N)ccc3c2=C(CC1)CC3.
What is the InChIKey of 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine?
The InChIKey is BBWQSCPBGQADQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-9-5-3-7-1-2-8-4-6-10(14)12(9)11(7)8/h3,5H,1-2,4,6,13-14H2.
What are the key properties of 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine?
1,2,3,4-tetrahydroacenaphthylene-5,6-diamine has a molecular weight of 186.26 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroacenaphthylene-5,6-diamine is sourced from PubChem (CID 133084024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).