dodec-2-ene-1,3-diamine

C12H26N2 — CID 173393775

IUPACdodec-2-ene-1,3-diamine
SMILESCCCCCCCCCC(N)=CCN
InChIInChI=1S/C12H26N2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h10H,2-9,11,13-14H2,1H3
InChIKeyHLHJFHWBOLBBCT-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.93
Rot. Bonds9

About dodec-2-ene-1,3-diamine

dodec-2-ene-1,3-diamine (PubChem CID 173393775) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is dodec-2-ene-1,3-diamine.

Molecular Properties

Compound Namedodec-2-ene-1,3-diamine
PubChem CID173393775
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Namedodec-2-ene-1,3-diamine
SMILESCCCCCCCCCC(N)=CCN
InChIInChI=1S/C12H26N2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h10H,2-9,11,13-14H2,1H3
InChIKeyHLHJFHWBOLBBCT-UHFFFAOYSA-N
XLogP2.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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

(Z)-dodec-3-en-4-amine
CID 21249690
(E)-octadec-9-en-9-amine
CID 146566069
(12Z)-henicosa-3,12-dien-4-amine
CID 173278495
dec-2-en-3-amine
CID 154268798
(Z)-nonadec-2-en-3-amine
CID 139654417
(E)-dec-1-ene-1,2-diamine
CID 87327630
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
1-(2-aminohex-1-enoxy)hex-1-en-2-amine
CID 141196870
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
4-methylheptadec-3-ene
CID 59169426

Frequently Asked Questions

What is the IUPAC name of dodec-2-ene-1,3-diamine?
The IUPAC name of dodec-2-ene-1,3-diamine (CID 173393775) is dodec-2-ene-1,3-diamine.
What is the SMILES notation for dodec-2-ene-1,3-diamine?
The canonical SMILES for dodec-2-ene-1,3-diamine is CCCCCCCCCC(N)=CCN.
What is the InChIKey of dodec-2-ene-1,3-diamine?
The InChIKey is HLHJFHWBOLBBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h10H,2-9,11,13-14H2,1H3.
What are the key properties of dodec-2-ene-1,3-diamine?
dodec-2-ene-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-2-ene-1,3-diamine is sourced from PubChem (CID 173393775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).