heptylhydrazine;trihydrochloride

C7H21Cl3N2 — CID 173153281

IUPACheptylhydrazine;trihydrochloride
SMILESCCCCCCCNN.Cl.Cl.Cl
InChIInChI=1S/C7H18N2.3ClH/c1-2-3-4-5-6-7-9-8;;;/h9H,2-8H2,1H3;3*1H
InChIKeyIWTBWQNEAFTMOI-UHFFFAOYSA-N
MW239.62 g/mol
LogP2.69
Rot. Bonds6

About heptylhydrazine;trihydrochloride

heptylhydrazine;trihydrochloride (PubChem CID 173153281) has the molecular formula C7H21Cl3N2 and a molecular weight of 239.62 g/mol. Its IUPAC name is heptylhydrazine;trihydrochloride.

Molecular Properties

Compound Nameheptylhydrazine;trihydrochloride
PubChem CID173153281
Molecular FormulaC7H21Cl3N2
Molecular Weight239.62 g/mol
Exact Mass238.08
IUPAC Nameheptylhydrazine;trihydrochloride
SMILESCCCCCCCNN.Cl.Cl.Cl
InChIInChI=1S/C7H18N2.3ClH/c1-2-3-4-5-6-7-9-8;;;/h9H,2-8H2,1H3;3*1H
InChIKeyIWTBWQNEAFTMOI-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

nonylhydrazine
CID 12557540
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CID 71757444
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CID 88793277
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N-(2-hydrazinylethyl)dodecan-1-amine
CID 175203641
dialuminum;octadecylhydrazine;trisulfate
CID 174557515
12-hydrazinyldodecylhydrazine
CID 19877691
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
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1-(2-aminohydrazinyl)hexane
CID 18914953

Frequently Asked Questions

What is the IUPAC name of heptylhydrazine;trihydrochloride?
The IUPAC name of heptylhydrazine;trihydrochloride (CID 173153281) is heptylhydrazine;trihydrochloride.
What is the SMILES notation for heptylhydrazine;trihydrochloride?
The canonical SMILES for heptylhydrazine;trihydrochloride is CCCCCCCNN.Cl.Cl.Cl.
What is the InChIKey of heptylhydrazine;trihydrochloride?
The InChIKey is IWTBWQNEAFTMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.3ClH/c1-2-3-4-5-6-7-9-8;;;/h9H,2-8H2,1H3;3*1H.
What are the key properties of heptylhydrazine;trihydrochloride?
heptylhydrazine;trihydrochloride has a molecular weight of 239.62 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptylhydrazine;trihydrochloride is sourced from PubChem (CID 173153281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).