4-bromo-N,N-dimethylpent-4-en-2-amine

C7H14BrN — CID 146393047

IUPAC4-bromo-N,N-dimethylpent-4-en-2-amine
SMILESC=C(Br)CC(C)N(C)C
InChIInChI=1S/C7H14BrN/c1-6(8)5-7(2)9(3)4/h7H,1,5H2,2-4H3
InChIKeyHQKSXMXLNLHJKP-UHFFFAOYSA-N
MW192.10 g/mol
LogP2.24
Rot. Bonds3

About 4-bromo-N,N-dimethylpent-4-en-2-amine

4-bromo-N,N-dimethylpent-4-en-2-amine (PubChem CID 146393047) has the molecular formula C7H14BrN and a molecular weight of 192.10 g/mol. Its IUPAC name is 4-bromo-N,N-dimethylpent-4-en-2-amine.

Molecular Properties

Compound Name4-bromo-N,N-dimethylpent-4-en-2-amine
PubChem CID146393047
Molecular FormulaC7H14BrN
Molecular Weight192.10 g/mol
Exact Mass191.03
IUPAC Name4-bromo-N,N-dimethylpent-4-en-2-amine
SMILESC=C(Br)CC(C)N(C)C
InChIInChI=1S/C7H14BrN/c1-6(8)5-7(2)9(3)4/h7H,1,5H2,2-4H3
InChIKeyHQKSXMXLNLHJKP-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dimethylpent-4-en-2-amine?
The IUPAC name of 4-bromo-N,N-dimethylpent-4-en-2-amine (CID 146393047) is 4-bromo-N,N-dimethylpent-4-en-2-amine.
What is the SMILES notation for 4-bromo-N,N-dimethylpent-4-en-2-amine?
The canonical SMILES for 4-bromo-N,N-dimethylpent-4-en-2-amine is C=C(Br)CC(C)N(C)C.
What is the InChIKey of 4-bromo-N,N-dimethylpent-4-en-2-amine?
The InChIKey is HQKSXMXLNLHJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN/c1-6(8)5-7(2)9(3)4/h7H,1,5H2,2-4H3.
What are the key properties of 4-bromo-N,N-dimethylpent-4-en-2-amine?
4-bromo-N,N-dimethylpent-4-en-2-amine has a molecular weight of 192.10 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethylpent-4-en-2-amine is sourced from PubChem (CID 146393047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).