heptane-1,7-diamine;tetrahydrobromide

C7H22Br4N2 — CID 174950337

IUPACheptane-1,7-diamine;tetrahydrobromide
SMILESBr.Br.Br.Br.NCCCCCCCN
InChIInChI=1S/C7H18N2.4BrH/c8-6-4-2-1-3-5-7-9;;;;/h1-9H2;4*1H
InChIKeyCWTMTTSILUUSRA-UHFFFAOYSA-N
MW453.88 g/mol
LogP3.17
Rot. Bonds6

About heptane-1,7-diamine;tetrahydrobromide

heptane-1,7-diamine;tetrahydrobromide (PubChem CID 174950337) has the molecular formula C7H22Br4N2 and a molecular weight of 453.88 g/mol. Its IUPAC name is heptane-1,7-diamine;tetrahydrobromide.

Molecular Properties

Compound Nameheptane-1,7-diamine;tetrahydrobromide
PubChem CID174950337
Molecular FormulaC7H22Br4N2
Molecular Weight453.88 g/mol
Exact Mass449.85
IUPAC Nameheptane-1,7-diamine;tetrahydrobromide
SMILESBr.Br.Br.Br.NCCCCCCCN
InChIInChI=1S/C7H18N2.4BrH/c8-6-4-2-1-3-5-7-9;;;;/h1-9H2;4*1H
InChIKeyCWTMTTSILUUSRA-UHFFFAOYSA-N
XLogP3.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.88
LogP ≤ 53.17
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

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hexane-1,6-diamine;platinum
CID 87698683
hexane-1,6-diamine;methanamine
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ethene;pentane-1,5-diamine
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azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
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Frequently Asked Questions

What is the IUPAC name of heptane-1,7-diamine;tetrahydrobromide?
The IUPAC name of heptane-1,7-diamine;tetrahydrobromide (CID 174950337) is heptane-1,7-diamine;tetrahydrobromide.
What is the SMILES notation for heptane-1,7-diamine;tetrahydrobromide?
The canonical SMILES for heptane-1,7-diamine;tetrahydrobromide is Br.Br.Br.Br.NCCCCCCCN.
What is the InChIKey of heptane-1,7-diamine;tetrahydrobromide?
The InChIKey is CWTMTTSILUUSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.4BrH/c8-6-4-2-1-3-5-7-9;;;;/h1-9H2;4*1H.
What are the key properties of heptane-1,7-diamine;tetrahydrobromide?
heptane-1,7-diamine;tetrahydrobromide has a molecular weight of 453.88 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1,7-diamine;tetrahydrobromide is sourced from PubChem (CID 174950337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).