N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine

C12H22BrN — CID 11010711

IUPACN-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine
SMILESCC(C)=CCCC(C)/C=N/CCCBr
InChIInChI=1S/C12H22BrN/c1-11(2)6-4-7-12(3)10-14-9-5-8-13/h6,10,12H,4-5,7-9H2,1-3H3/b14-10+
InChIKeyUJYZAUMUOKRMRO-GXDHUFHOSA-N
MW260.22 g/mol
LogP4.22
Rot. Bonds7

About N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine

N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine (PubChem CID 11010711) has the molecular formula C12H22BrN and a molecular weight of 260.22 g/mol. Its IUPAC name is N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine.

Molecular Properties

Compound NameN-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine
PubChem CID11010711
Molecular FormulaC12H22BrN
Molecular Weight260.22 g/mol
Exact Mass259.09
IUPAC NameN-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine
SMILESCC(C)=CCCC(C)/C=N/CCCBr
InChIInChI=1S/C12H22BrN/c1-11(2)6-4-7-12(3)10-14-9-5-8-13/h6,10,12H,4-5,7-9H2,1-3H3/b14-10+
InChIKeyUJYZAUMUOKRMRO-GXDHUFHOSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine?
The IUPAC name of N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine (CID 11010711) is N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine.
What is the SMILES notation for N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine?
The canonical SMILES for N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine is CC(C)=CCCC(C)/C=N/CCCBr.
What is the InChIKey of N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine?
The InChIKey is UJYZAUMUOKRMRO-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H22BrN/c1-11(2)6-4-7-12(3)10-14-9-5-8-13/h6,10,12H,4-5,7-9H2,1-3H3/b14-10+.
What are the key properties of N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine?
N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine has a molecular weight of 260.22 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2,6-dimethylhept-5-en-1-imine is sourced from PubChem (CID 11010711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).