hexane-1,1-diamine;hydrobromide

C6H17BrN2 — CID 141245501

IUPAChexane-1,1-diamine;hydrobromide
SMILESBr.CCCCCC(N)N
InChIInChI=1S/C6H16N2.BrH/c1-2-3-4-5-6(7)8;/h6H,2-5,7-8H2,1H3;1H
InChIKeyUDIDRLGYXWETCO-UHFFFAOYSA-N
MW197.12 g/mol
LogP1.39
Rot. Bonds4

About hexane-1,1-diamine;hydrobromide

hexane-1,1-diamine;hydrobromide (PubChem CID 141245501) has the molecular formula C6H17BrN2 and a molecular weight of 197.12 g/mol. Its IUPAC name is hexane-1,1-diamine;hydrobromide.

Molecular Properties

Compound Namehexane-1,1-diamine;hydrobromide
PubChem CID141245501
Molecular FormulaC6H17BrN2
Molecular Weight197.12 g/mol
Exact Mass196.06
IUPAC Namehexane-1,1-diamine;hydrobromide
SMILESBr.CCCCCC(N)N
InChIInChI=1S/C6H16N2.BrH/c1-2-3-4-5-6(7)8;/h6H,2-5,7-8H2,1H3;1H
InChIKeyUDIDRLGYXWETCO-UHFFFAOYSA-N
XLogP1.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 51.39
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
tetradecane-1,1-diamine;dihydrochloride
CID 21115936
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894
sodium;hexane-1,1-diamine;hydride;phosphoric acid
CID 175253619
nonapentacontan-30-amine
CID 118952570
pentacosan-7-amine
CID 88938409
tetradecan-2-amine;hydrobromide
CID 175070931
tetradecan-3-amine;hydrobromide
CID 173393490
hexane-1,1-diamine;trimethoxy(propyl)silane
CID 175401211
dodecane-1,1,12,12-tetramine
CID 57282204
octadecan-9-amine;hydrochloride
CID 19002510

Frequently Asked Questions

What is the IUPAC name of hexane-1,1-diamine;hydrobromide?
The IUPAC name of hexane-1,1-diamine;hydrobromide (CID 141245501) is hexane-1,1-diamine;hydrobromide.
What is the SMILES notation for hexane-1,1-diamine;hydrobromide?
The canonical SMILES for hexane-1,1-diamine;hydrobromide is Br.CCCCCC(N)N.
What is the InChIKey of hexane-1,1-diamine;hydrobromide?
The InChIKey is UDIDRLGYXWETCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.BrH/c1-2-3-4-5-6(7)8;/h6H,2-5,7-8H2,1H3;1H.
What are the key properties of hexane-1,1-diamine;hydrobromide?
hexane-1,1-diamine;hydrobromide has a molecular weight of 197.12 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,1-diamine;hydrobromide is sourced from PubChem (CID 141245501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).