2,11-dimethyldodeca-4,8-diene-1,11-diamine

C14H28N2 — CID 54039959

IUPAC2,11-dimethyldodeca-4,8-diene-1,11-diamine
SMILESCC(CN)CC=CCCC=CCC(C)(C)N
InChIInChI=1S/C14H28N2/c1-13(12-15)10-8-6-4-5-7-9-11-14(2,3)16/h6-9,13H,4-5,10-12,15-16H2,1-3H3
InChIKeyLLPXDWUERKYUGN-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.99
Rot. Bonds8

About 2,11-dimethyldodeca-4,8-diene-1,11-diamine

2,11-dimethyldodeca-4,8-diene-1,11-diamine (PubChem CID 54039959) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,11-dimethyldodeca-4,8-diene-1,11-diamine.

Molecular Properties

Compound Name2,11-dimethyldodeca-4,8-diene-1,11-diamine
PubChem CID54039959
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2,11-dimethyldodeca-4,8-diene-1,11-diamine
SMILESCC(CN)CC=CCCC=CCC(C)(C)N
InChIInChI=1S/C14H28N2/c1-13(12-15)10-8-6-4-5-7-9-11-14(2,3)16/h6-9,13H,4-5,10-12,15-16H2,1-3H3
InChIKeyLLPXDWUERKYUGN-UHFFFAOYSA-N
XLogP2.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.99
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 2,11-dimethyldodeca-4,8-diene-1,11-diamine?
The IUPAC name of 2,11-dimethyldodeca-4,8-diene-1,11-diamine (CID 54039959) is 2,11-dimethyldodeca-4,8-diene-1,11-diamine.
What is the SMILES notation for 2,11-dimethyldodeca-4,8-diene-1,11-diamine?
The canonical SMILES for 2,11-dimethyldodeca-4,8-diene-1,11-diamine is CC(CN)CC=CCCC=CCC(C)(C)N.
What is the InChIKey of 2,11-dimethyldodeca-4,8-diene-1,11-diamine?
The InChIKey is LLPXDWUERKYUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(12-15)10-8-6-4-5-7-9-11-14(2,3)16/h6-9,13H,4-5,10-12,15-16H2,1-3H3.
What are the key properties of 2,11-dimethyldodeca-4,8-diene-1,11-diamine?
2,11-dimethyldodeca-4,8-diene-1,11-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dimethyldodeca-4,8-diene-1,11-diamine is sourced from PubChem (CID 54039959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).