dodecane-1,12-diamine

C12H28N2 — CID 17727

IUPACdodecane-1,12-diamine
SMILESNCCCCCCCCCCCCN
InChIInChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
InChIKeyQFTYSVGGYOXFRQ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.80
Rot. Bonds11

About dodecane-1,12-diamine

dodecane-1,12-diamine (PubChem CID 17727) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is dodecane-1,12-diamine.

Molecular Properties

Compound Namedodecane-1,12-diamine
PubChem CID17727
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Namedodecane-1,12-diamine
SMILESNCCCCCCCCCCCCN
InChIInChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
InChIKeyQFTYSVGGYOXFRQ-UHFFFAOYSA-N
XLogP2.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
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'}

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Frequently Asked Questions

What is the IUPAC name of dodecane-1,12-diamine?
The IUPAC name of dodecane-1,12-diamine (CID 17727) is dodecane-1,12-diamine.
What is the SMILES notation for dodecane-1,12-diamine?
The canonical SMILES for dodecane-1,12-diamine is NCCCCCCCCCCCCN.
What is the InChIKey of dodecane-1,12-diamine?
The InChIKey is QFTYSVGGYOXFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2.
What are the key properties of dodecane-1,12-diamine?
dodecane-1,12-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.80, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane-1,12-diamine is sourced from PubChem (CID 17727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).