1-bromo-N,N-dimethylhex-5-en-3-amine

C8H16BrN — CID 88601694

IUPAC1-bromo-N,N-dimethylhex-5-en-3-amine
SMILESC=CCC(CCBr)N(C)C
InChIInChI=1S/C8H16BrN/c1-4-5-8(6-7-9)10(2)3/h4,8H,1,5-7H2,2-3H3
InChIKeyMBXREXQCXDGJLS-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.28
Rot. Bonds5

About 1-bromo-N,N-dimethylhex-5-en-3-amine

1-bromo-N,N-dimethylhex-5-en-3-amine (PubChem CID 88601694) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is 1-bromo-N,N-dimethylhex-5-en-3-amine.

Molecular Properties

Compound Name1-bromo-N,N-dimethylhex-5-en-3-amine
PubChem CID88601694
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name1-bromo-N,N-dimethylhex-5-en-3-amine
SMILESC=CCC(CCBr)N(C)C
InChIInChI=1S/C8H16BrN/c1-4-5-8(6-7-9)10(2)3/h4,8H,1,5-7H2,2-3H3
InChIKeyMBXREXQCXDGJLS-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.28
H-Bond Donors ≤ 50
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

3-N,3-N-dimethylhex-5-ene-1,3-diamine
CID 87074898
1-N,1-N,2-N,2-N-tetramethylpent-4-ene-1,2-diamine
CID 145347073
1-N,1-N,14-N,14-N-tetramethylheptadec-16-ene-1,14-diamine
CID 160750261
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
2-(dimethylamino)hex-5-en-1-ol
CID 131050501
N,N-dimethyloct-7-en-3-amine
CID 142842178
N,N,2-trimethyloct-7-en-4-amine
CID 144657583
4-propan-2-ylhepta-1,6-diene
CID 14140894
N,N-dimethylhex-5-en-1-yn-3-amine
CID 45087173
but-1-ene;N,N-dimethylpentan-2-amine;ethane
CID 145343513
2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine
CID 115714111
5-bromo-4-(bromomethyl)pent-1-ene
CID 119097828

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N,N-dimethylhex-5-en-3-amine?
The IUPAC name of 1-bromo-N,N-dimethylhex-5-en-3-amine (CID 88601694) is 1-bromo-N,N-dimethylhex-5-en-3-amine.
What is the SMILES notation for 1-bromo-N,N-dimethylhex-5-en-3-amine?
The canonical SMILES for 1-bromo-N,N-dimethylhex-5-en-3-amine is C=CCC(CCBr)N(C)C.
What is the InChIKey of 1-bromo-N,N-dimethylhex-5-en-3-amine?
The InChIKey is MBXREXQCXDGJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-4-5-8(6-7-9)10(2)3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 1-bromo-N,N-dimethylhex-5-en-3-amine?
1-bromo-N,N-dimethylhex-5-en-3-amine has a molecular weight of 206.13 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N,N-dimethylhex-5-en-3-amine is sourced from PubChem (CID 88601694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).