7-bromo-2,6-dimethylnon-7-en-3-amine

C11H22BrN — CID 166773454

IUPAC7-bromo-2,6-dimethylnon-7-en-3-amine
SMILESCC=C(Br)C(C)CCC(N)C(C)C
InChIInChI=1S/C11H22BrN/c1-5-10(12)9(4)6-7-11(13)8(2)3/h5,8-9,11H,6-7,13H2,1-4H3
InChIKeyNAVVUGAFSJCKDA-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.68
Rot. Bonds5

About 7-bromo-2,6-dimethylnon-7-en-3-amine

7-bromo-2,6-dimethylnon-7-en-3-amine (PubChem CID 166773454) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 7-bromo-2,6-dimethylnon-7-en-3-amine.

Molecular Properties

Compound Name7-bromo-2,6-dimethylnon-7-en-3-amine
PubChem CID166773454
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name7-bromo-2,6-dimethylnon-7-en-3-amine
SMILESCC=C(Br)C(C)CCC(N)C(C)C
InChIInChI=1S/C11H22BrN/c1-5-10(12)9(4)6-7-11(13)8(2)3/h5,8-9,11H,6-7,13H2,1-4H3
InChIKeyNAVVUGAFSJCKDA-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,6-dimethylnon-7-en-3-amine?
The IUPAC name of 7-bromo-2,6-dimethylnon-7-en-3-amine (CID 166773454) is 7-bromo-2,6-dimethylnon-7-en-3-amine.
What is the SMILES notation for 7-bromo-2,6-dimethylnon-7-en-3-amine?
The canonical SMILES for 7-bromo-2,6-dimethylnon-7-en-3-amine is CC=C(Br)C(C)CCC(N)C(C)C.
What is the InChIKey of 7-bromo-2,6-dimethylnon-7-en-3-amine?
The InChIKey is NAVVUGAFSJCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-5-10(12)9(4)6-7-11(13)8(2)3/h5,8-9,11H,6-7,13H2,1-4H3.
What are the key properties of 7-bromo-2,6-dimethylnon-7-en-3-amine?
7-bromo-2,6-dimethylnon-7-en-3-amine has a molecular weight of 248.21 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,6-dimethylnon-7-en-3-amine is sourced from PubChem (CID 166773454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).