dodecane-1,2-diamine

C12H28N2 — CID 517636

IUPACdodecane-1,2-diamine
SMILESCCCCCCCCCCC(N)CN
InChIInChI=1S/C12H28N2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12H,2-11,13-14H2,1H3
InChIKeyOQGSHLFKXYVLRR-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.80
Rot. Bonds10

About dodecane-1,2-diamine

dodecane-1,2-diamine (PubChem CID 517636) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is dodecane-1,2-diamine.

Molecular Properties

Compound Namedodecane-1,2-diamine
PubChem CID517636
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Namedodecane-1,2-diamine
SMILESCCCCCCCCCCC(N)CN
InChIInChI=1S/C12H28N2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12H,2-11,13-14H2,1H3
InChIKeyOQGSHLFKXYVLRR-UHFFFAOYSA-N
XLogP2.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dodecane-1,2-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 dodecane-1,2-diamine?
The IUPAC name of dodecane-1,2-diamine (CID 517636) is dodecane-1,2-diamine.
What is the SMILES notation for dodecane-1,2-diamine?
The canonical SMILES for dodecane-1,2-diamine is CCCCCCCCCCC(N)CN.
What is the InChIKey of dodecane-1,2-diamine?
The InChIKey is OQGSHLFKXYVLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12H,2-11,13-14H2,1H3.
What are the key properties of dodecane-1,2-diamine?
dodecane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane-1,2-diamine is sourced from PubChem (CID 517636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).