dodec-11-ene-1,11-diamine

C12H26N2 — CID 88786698

IUPACdodec-11-ene-1,11-diamine
SMILESC=C(N)CCCCCCCCCCN
InChIInChI=1S/C12H26N2/c1-12(14)10-8-6-4-2-3-5-7-9-11-13/h1-11,13-14H2
InChIKeyVORCNYIQNWJXIW-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.93
Rot. Bonds10

About dodec-11-ene-1,11-diamine

dodec-11-ene-1,11-diamine (PubChem CID 88786698) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is dodec-11-ene-1,11-diamine.

Molecular Properties

Compound Namedodec-11-ene-1,11-diamine
PubChem CID88786698
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Namedodec-11-ene-1,11-diamine
SMILESC=C(N)CCCCCCCCCCN
InChIInChI=1S/C12H26N2/c1-12(14)10-8-6-4-2-3-5-7-9-11-13/h1-11,13-14H2
InChIKeyVORCNYIQNWJXIW-UHFFFAOYSA-N
XLogP2.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.93
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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Related Compounds

16-aminohexadecanamide
CID 86033165
6-(7-aminohept-1-en-2-ylsulfanyl)hept-6-en-1-amine
CID 54573847
heptadec-1-en-2-amine;molecular hydrogen
CID 143986665
6-amino-2-methylidenehexanamide
CID 90258126
ethene;pentane-1,5-diamine
CID 155743145
1-N-methylhept-6-ene-1,6-diamine
CID 142387852
7-methyl-6-methylideneoctan-1-amine
CID 129099714
8-methyl-7-methylidenenonan-1-amine
CID 174252779
ethane;hept-1-en-2-amine
CID 143133065
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225

Frequently Asked Questions

What is the IUPAC name of dodec-11-ene-1,11-diamine?
The IUPAC name of dodec-11-ene-1,11-diamine (CID 88786698) is dodec-11-ene-1,11-diamine.
What is the SMILES notation for dodec-11-ene-1,11-diamine?
The canonical SMILES for dodec-11-ene-1,11-diamine is C=C(N)CCCCCCCCCCN.
What is the InChIKey of dodec-11-ene-1,11-diamine?
The InChIKey is VORCNYIQNWJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(14)10-8-6-4-2-3-5-7-9-11-13/h1-11,13-14H2.
What are the key properties of dodec-11-ene-1,11-diamine?
dodec-11-ene-1,11-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-11-ene-1,11-diamine is sourced from PubChem (CID 88786698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).