ethane;naphthalene-1,8-diamine

C12H16N2 — CID 90905453

IUPACethane;naphthalene-1,8-diamine
SMILESCC.Nc1cccc2cccc(N)c12
InChIInChI=1S/C10H10N2.C2H6/c11-8-5-1-3-7-4-2-6-9(12)10(7)8;1-2/h1-6H,11-12H2;1-2H3
InChIKeyOLSVYUZFNSKKFN-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.03
Rot. Bonds

About ethane;naphthalene-1,8-diamine

ethane;naphthalene-1,8-diamine (PubChem CID 90905453) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethane;naphthalene-1,8-diamine.

Molecular Properties

Compound Nameethane;naphthalene-1,8-diamine
PubChem CID90905453
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Nameethane;naphthalene-1,8-diamine
SMILESCC.Nc1cccc2cccc(N)c12
InChIInChI=1S/C10H10N2.C2H6/c11-8-5-1-3-7-4-2-6-9(12)10(7)8;1-2/h1-6H,11-12H2;1-2H3
InChIKeyOLSVYUZFNSKKFN-UHFFFAOYSA-N
XLogP3.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;naphthalene-1,8-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 ethane;naphthalene-1,8-diamine?
The IUPAC name of ethane;naphthalene-1,8-diamine (CID 90905453) is ethane;naphthalene-1,8-diamine.
What is the SMILES notation for ethane;naphthalene-1,8-diamine?
The canonical SMILES for ethane;naphthalene-1,8-diamine is CC.Nc1cccc2cccc(N)c12.
What is the InChIKey of ethane;naphthalene-1,8-diamine?
The InChIKey is OLSVYUZFNSKKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C2H6/c11-8-5-1-3-7-4-2-6-9(12)10(7)8;1-2/h1-6H,11-12H2;1-2H3.
What are the key properties of ethane;naphthalene-1,8-diamine?
ethane;naphthalene-1,8-diamine has a molecular weight of 188.27 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;naphthalene-1,8-diamine is sourced from PubChem (CID 90905453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).