dodeca-1,11-diene-6,7-diamine

C12H24N2 — CID 134926081

IUPACdodeca-1,11-diene-6,7-diamine
SMILESC=CCCCC(N)C(N)CCCC=C
InChIInChI=1S/C12H24N2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-4,11-12H,1-2,5-10,13-14H2
InChIKeyZEEUJZCLAYSKEJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.35
Rot. Bonds9

About dodeca-1,11-diene-6,7-diamine

dodeca-1,11-diene-6,7-diamine (PubChem CID 134926081) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is dodeca-1,11-diene-6,7-diamine.

Molecular Properties

Compound Namedodeca-1,11-diene-6,7-diamine
PubChem CID134926081
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Namedodeca-1,11-diene-6,7-diamine
SMILESC=CCCCC(N)C(N)CCCC=C
InChIInChI=1S/C12H24N2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-4,11-12H,1-2,5-10,13-14H2
InChIKeyZEEUJZCLAYSKEJ-UHFFFAOYSA-N
XLogP2.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodeca-1,11-diene-6,7-diamine?
The IUPAC name of dodeca-1,11-diene-6,7-diamine (CID 134926081) is dodeca-1,11-diene-6,7-diamine.
What is the SMILES notation for dodeca-1,11-diene-6,7-diamine?
The canonical SMILES for dodeca-1,11-diene-6,7-diamine is C=CCCCC(N)C(N)CCCC=C.
What is the InChIKey of dodeca-1,11-diene-6,7-diamine?
The InChIKey is ZEEUJZCLAYSKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-4,11-12H,1-2,5-10,13-14H2.
What are the key properties of dodeca-1,11-diene-6,7-diamine?
dodeca-1,11-diene-6,7-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-1,11-diene-6,7-diamine is sourced from PubChem (CID 134926081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).