(Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine

C11H20BrN — CID 170130567

IUPAC(Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine
SMILESC=CN/C(CC)=C(\Br)C(C)(C)CC
InChIInChI=1S/C11H20BrN/c1-6-9(13-8-3)10(12)11(4,5)7-2/h8,13H,3,6-7H2,1-2,4-5H3/b10-9-
InChIKeyFIDSDUBEJRIFKS-KTKRTIGZSA-N
MW246.19 g/mol
LogP4.17
Rot. Bonds5

About (Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine

(Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine (PubChem CID 170130567) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is (Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine
PubChem CID170130567
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name(Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine
SMILESC=CN/C(CC)=C(\Br)C(C)(C)CC
InChIInChI=1S/C11H20BrN/c1-6-9(13-8-3)10(12)11(4,5)7-2/h8,13H,3,6-7H2,1-2,4-5H3/b10-9-
InChIKeyFIDSDUBEJRIFKS-KTKRTIGZSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine?
The IUPAC name of (Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine (CID 170130567) is (Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine.
What is the SMILES notation for (Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine?
The canonical SMILES for (Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine is C=CN/C(CC)=C(\Br)C(C)(C)CC.
What is the InChIKey of (Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine?
The InChIKey is FIDSDUBEJRIFKS-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H20BrN/c1-6-9(13-8-3)10(12)11(4,5)7-2/h8,13H,3,6-7H2,1-2,4-5H3/b10-9-.
What are the key properties of (Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine?
(Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine has a molecular weight of 246.19 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-bromo-N-ethenyl-5,5-dimethylhept-3-en-3-amine is sourced from PubChem (CID 170130567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).