(Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine

C10H18BrNO — CID 142883636

IUPAC(Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine
SMILESC=CO/C(=C\CBr)C(N)C(C)(C)C
InChIInChI=1S/C10H18BrNO/c1-5-13-8(6-7-11)9(12)10(2,3)4/h5-6,9H,1,7,12H2,2-4H3/b8-6-
InChIKeyNXNYZHOZBYMJJA-VURMDHGXSA-N
MW248.16 g/mol
LogP2.80
Rot. Bonds4

About (Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine

(Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine (PubChem CID 142883636) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is (Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine.

Molecular Properties

Compound Name(Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine
PubChem CID142883636
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name(Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine
SMILESC=CO/C(=C\CBr)C(N)C(C)(C)C
InChIInChI=1S/C10H18BrNO/c1-5-13-8(6-7-11)9(12)10(2,3)4/h5-6,9H,1,7,12H2,2-4H3/b8-6-
InChIKeyNXNYZHOZBYMJJA-VURMDHGXSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine?
The IUPAC name of (Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine (CID 142883636) is (Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine.
What is the SMILES notation for (Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine?
The canonical SMILES for (Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine is C=CO/C(=C\CBr)C(N)C(C)(C)C.
What is the InChIKey of (Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine?
The InChIKey is NXNYZHOZBYMJJA-VURMDHGXSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-5-13-8(6-7-11)9(12)10(2,3)4/h5-6,9H,1,7,12H2,2-4H3/b8-6-.
What are the key properties of (Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine?
(Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine has a molecular weight of 248.16 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-bromo-4-ethenoxy-2,2-dimethylhex-4-en-3-amine is sourced from PubChem (CID 142883636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).