azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide

C8H17Br2N — CID 174746047

IUPACazane;4-bromo-6-methylhepta-1,5-diene;hydrobromide
SMILESBr.C=CCC(Br)C=C(C)C.N
InChIInChI=1S/C8H13Br.BrH.H3N/c1-4-5-8(9)6-7(2)3;;/h4,6,8H,1,5H2,2-3H3;1H;1H3
InChIKeyZNCYUUBZYNIHEE-UHFFFAOYSA-N
MW287.04 g/mol
LogP4.03
Rot. Bonds3

About azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide

azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide (PubChem CID 174746047) has the molecular formula C8H17Br2N and a molecular weight of 287.04 g/mol. Its IUPAC name is azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide.

Molecular Properties

Compound Nameazane;4-bromo-6-methylhepta-1,5-diene;hydrobromide
PubChem CID174746047
Molecular FormulaC8H17Br2N
Molecular Weight287.04 g/mol
Exact Mass284.97
IUPAC Nameazane;4-bromo-6-methylhepta-1,5-diene;hydrobromide
SMILESBr.C=CCC(Br)C=C(C)C.N
InChIInChI=1S/C8H13Br.BrH.H3N/c1-4-5-8(9)6-7(2)3;;/h4,6,8H,1,5H2,2-3H3;1H;1H3
InChIKeyZNCYUUBZYNIHEE-UHFFFAOYSA-N
XLogP4.03
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-prop-2-enylhepta-1,5-diene
CID 23173905
azane;pent-4-en-2-ol
CID 22149561
8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 54461369
5-bromo-4-methylhex-1-ene
CID 78976582
3-ethenylhex-5-en-2-one
CID 529432
2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene
CID 162498864
(4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol
CID 58129544
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
(5Z)-5-methylhepta-1,5-dien-4-amine
CID 143795621
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395
(6E)-4-bromoocta-1,6-diene
CID 87341581
(4R,5E)-7,7,7-trifluoro-4,6-dimethylhepta-1,5-diene
CID 90261567

Frequently Asked Questions

What is the IUPAC name of azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide?
The IUPAC name of azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide (CID 174746047) is azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide.
What is the SMILES notation for azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide?
The canonical SMILES for azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide is Br.C=CCC(Br)C=C(C)C.N.
What is the InChIKey of azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide?
The InChIKey is ZNCYUUBZYNIHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br.BrH.H3N/c1-4-5-8(9)6-7(2)3;;/h4,6,8H,1,5H2,2-3H3;1H;1H3.
What are the key properties of azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide?
azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide has a molecular weight of 287.04 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-bromo-6-methylhepta-1,5-diene;hydrobromide is sourced from PubChem (CID 174746047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).