tetradecane-1,1-diamine;dihydrochloride

C14H34Cl2N2 — CID 21115936

IUPACtetradecane-1,1-diamine;dihydrochloride
SMILESCCCCCCCCCCCCCC(N)N.Cl.Cl
InChIInChI=1S/C14H32N2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h14H,2-13,15-16H2,1H3;2*1H
InChIKeyJGJFPWORZWBLCL-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.77
Rot. Bonds12

About tetradecane-1,1-diamine;dihydrochloride

tetradecane-1,1-diamine;dihydrochloride (PubChem CID 21115936) has the molecular formula C14H34Cl2N2 and a molecular weight of 301.35 g/mol. Its IUPAC name is tetradecane-1,1-diamine;dihydrochloride.

Molecular Properties

Compound Nametetradecane-1,1-diamine;dihydrochloride
PubChem CID21115936
Molecular FormulaC14H34Cl2N2
Molecular Weight301.35 g/mol
Exact Mass300.21
IUPAC Nametetradecane-1,1-diamine;dihydrochloride
SMILESCCCCCCCCCCCCCC(N)N.Cl.Cl
InChIInChI=1S/C14H32N2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h14H,2-13,15-16H2,1H3;2*1H
InChIKeyJGJFPWORZWBLCL-UHFFFAOYSA-N
XLogP4.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hexacosane-1,1-diamine
CID 137375175
hexatriacontane-1,1-diamine
CID 21495844
hexane-1,1-diamine;hydrobromide
CID 141245501
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168
nonapentacontan-30-amine
CID 118952570
pentacosan-7-amine
CID 88938409
dodecane-1,1,12,12-tetramine
CID 57282204
dodecan-2-amine;hydrochloride
CID 86195878
tritriactan-3-amine;hydrochloride
CID 173389490
decan-4-amine;hydrochloride
CID 87728109

Frequently Asked Questions

What is the IUPAC name of tetradecane-1,1-diamine;dihydrochloride?
The IUPAC name of tetradecane-1,1-diamine;dihydrochloride (CID 21115936) is tetradecane-1,1-diamine;dihydrochloride.
What is the SMILES notation for tetradecane-1,1-diamine;dihydrochloride?
The canonical SMILES for tetradecane-1,1-diamine;dihydrochloride is CCCCCCCCCCCCCC(N)N.Cl.Cl.
What is the InChIKey of tetradecane-1,1-diamine;dihydrochloride?
The InChIKey is JGJFPWORZWBLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h14H,2-13,15-16H2,1H3;2*1H.
What are the key properties of tetradecane-1,1-diamine;dihydrochloride?
tetradecane-1,1-diamine;dihydrochloride has a molecular weight of 301.35 g/mol, XLogP of 4.77, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecane-1,1-diamine;dihydrochloride is sourced from PubChem (CID 21115936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).