dodecane-1,2-diamine;dodecane-1,12-diamine

C24H56N4 — CID 88743619

IUPACdodecane-1,2-diamine;dodecane-1,12-diamine
SMILESCCCCCCCCCCC(N)CN.NCCCCCCCCCCCCN
InChIInChI=1S/2C12H28N2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13;13-11-9-7-5-3-1-2-4-6-8-10-12-14/h12H,2-11,13-14H2,1H3;1-14H2
InChIKeyAAGQWBPTXICQAS-UHFFFAOYSA-N
MW400.74 g/mol
LogP5.61
Rot. Bonds21

About dodecane-1,2-diamine;dodecane-1,12-diamine

dodecane-1,2-diamine;dodecane-1,12-diamine (PubChem CID 88743619) has the molecular formula C24H56N4 and a molecular weight of 400.74 g/mol. Its IUPAC name is dodecane-1,2-diamine;dodecane-1,12-diamine.

Molecular Properties

Compound Namedodecane-1,2-diamine;dodecane-1,12-diamine
PubChem CID88743619
Molecular FormulaC24H56N4
Molecular Weight400.74 g/mol
Exact Mass400.45
IUPAC Namedodecane-1,2-diamine;dodecane-1,12-diamine
SMILESCCCCCCCCCCC(N)CN.NCCCCCCCCCCCCN
InChIInChI=1S/2C12H28N2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13;13-11-9-7-5-3-1-2-4-6-8-10-12-14/h12H,2-11,13-14H2,1H3;1-14H2
InChIKeyAAGQWBPTXICQAS-UHFFFAOYSA-N
XLogP5.61
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.74
LogP ≤ 55.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-decane-1,2-diamine
CID 102595281
decane-1,2-diamine
CID 517618
undecane-1,6-diamine
CID 18419788
octadecane-1,5-diamine
CID 154229011
nonadecane-1,13-diamine
CID 102135569
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894
dodecan-1-amine;dodecan-2-amine
CID 88815564
5-hexyldodecan-1-amine
CID 129015386
9,10-dioctylhenicosan-1-amine
CID 123803716
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
decan-1-amine;hexan-1-amine
CID 162216125

Frequently Asked Questions

What is the IUPAC name of dodecane-1,2-diamine;dodecane-1,12-diamine?
The IUPAC name of dodecane-1,2-diamine;dodecane-1,12-diamine (CID 88743619) is dodecane-1,2-diamine;dodecane-1,12-diamine.
What is the SMILES notation for dodecane-1,2-diamine;dodecane-1,12-diamine?
The canonical SMILES for dodecane-1,2-diamine;dodecane-1,12-diamine is CCCCCCCCCCC(N)CN.NCCCCCCCCCCCCN.
What is the InChIKey of dodecane-1,2-diamine;dodecane-1,12-diamine?
The InChIKey is AAGQWBPTXICQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H28N2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13;13-11-9-7-5-3-1-2-4-6-8-10-12-14/h12H,2-11,13-14H2,1H3;1-14H2.
What are the key properties of dodecane-1,2-diamine;dodecane-1,12-diamine?
dodecane-1,2-diamine;dodecane-1,12-diamine has a molecular weight of 400.74 g/mol, XLogP of 5.61, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane-1,2-diamine;dodecane-1,12-diamine is sourced from PubChem (CID 88743619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).